 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer07_wB97XD-def2SVPDr.in
 Output=26_junionone_conformer07_wB97XD-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/Gau-81210.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/additions/26_junionone/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     81211.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=26_junionone_conformer07_wB97XD-def2SVPDr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer07_wB97XD-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.753212000000      0.261201000000      1.693960000000
  C                                                -1.991275000000      0.379275000000      0.192703000000
  C                                                -0.849009000000     -0.284062000000     -0.673672000000
  C                                                 0.523957000000     -0.362760000000     -0.129190000000
  C                                                 1.600074000000      0.202273000000     -0.683932000000
  C                                                 2.971335000000      0.145334000000     -0.139740000000
  O                                                 3.879212000000      0.705568000000     -0.725256000000
  C                                                -2.328795000000      1.809261000000     -0.188051000000
  C                                                -2.945679000000     -0.733150000000     -0.326549000000
  C                                                -1.715204000000     -1.570236000000     -0.737989000000
  C                                                 3.228267000000     -0.612295000000      1.146957000000
  H                                                -3.520012000000     -0.399442000000     -1.191692000000
  H                                                -3.631250000000     -1.169043000000      0.400509000000
  H                                                -0.830366000000      0.203561000000     -1.650261000000
  H                                                -1.427501000000     -2.287210000000      0.031723000000
  H                                                -1.746461000000     -2.086631000000     -1.696096000000
  H                                                -1.522157000000     -0.762423000000      1.994493000000
  H                                                -2.649402000000      0.568790000000      2.237355000000
  H                                                -0.929068000000      0.901723000000      2.015625000000
  H                                                -2.519952000000      1.897738000000     -1.259237000000
  H                                                -1.507307000000      2.484467000000      0.065367000000
  H                                                -3.220245000000      2.153813000000      0.342854000000
  H                                                 0.639748000000     -0.919587000000      0.795696000000
  H                                                 1.514703000000      0.761846000000     -1.609834000000
  H                                                 2.945548000000     -1.661881000000      1.042967000000
  H                                                 2.641207000000     -0.194560000000      1.967518000000
  H                                                 4.286065000000     -0.544744000000      1.388076000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.524594   0.000000
     3  C    2.592407   1.579681   0.000000
     4  C    2.983069   2.642087   1.479084   0.000000
     5  C    4.111249   3.701028   2.496925   1.336050   0.000000
     6  C    5.069243   4.979231   3.881300   2.499586   1.476396
     7  O    6.146077   5.950776   4.830953   3.571324   2.334413
     8  C    2.503947   1.517812   2.609137   3.585991   4.273678
     9  C    2.548170   1.554992   2.172142   3.494927   4.654741
    10  C    3.044665   2.177842   1.551990   2.615813   3.759758
    11  C    5.086978   5.397910   4.477344   3.000685   2.581993
    12  H    3.447466   2.204538   2.723218   4.181380   5.180267
    13  H    2.691773   2.264948   3.110936   4.265726   5.515729
    14  H    3.469695   2.185201   1.091719   2.113899   2.615498
    15  H    3.059987   2.730183   2.201099   2.745467   3.984457
    16  H    4.123693   3.115797   2.258324   3.252956   4.178858
    17  H    1.091564   2.184031   2.793038   2.975961   4.225272
    18  H    1.092266   2.156304   3.527442   4.066759   5.169748
    19  H    1.092223   2.173541   2.940206   2.882782   3.764757
    20  H    3.462299   2.166416   2.809838   3.956291   4.492237
    21  H    2.766893   2.163856   2.940117   3.502940   3.927553
    22  H    2.749482   2.163769   3.549552   4.535969   5.300780
    23  H    2.815563   2.995484   2.186168   1.085761   2.090477
    24  H    4.673860   3.960730   2.749083   2.106804   1.085221
    25  H    5.118631   5.409389   4.386787   2.987603   2.875335
    26  H    4.426451   4.993911   4.377842   2.984497   2.876043
    27  H    6.100490   6.456603   5.539652   4.060624   3.473586
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.216935   0.000000
     8  C    5.555391   6.328197   0.000000
     9  C    5.984788   6.986273   2.619844   0.000000
    10  C    5.026403   6.039614   3.478495   1.544042   0.000000
    11  C    1.515125   2.380268   6.207022   6.348499   5.376670
    12  H    6.598558   7.495807   2.702714   1.090730   2.198622
    13  H    6.753783   7.822311   3.303496   1.090240   2.264590
    14  H    4.091209   4.825740   2.638488   2.665369   2.182094
    15  H    5.029555   6.139295   4.200203   2.201891   1.090542
    16  H    5.446238   6.355085   4.217972   2.268412   1.088857
    17  H    5.056723   6.223088   3.468101   2.722959   2.855921
    18  H    6.117400   7.170675   2.743019   2.890749   3.781644
    19  H    4.520052   5.538092   2.763883   3.496471   3.782986
    20  H    5.871833   6.531134   1.091700   2.823601   3.598078
    21  H    5.056861   5.727491   1.093145   3.546205   4.138746
    22  H    6.527063   7.323972   1.093279   2.976246   4.159557
    23  H    2.728625   3.930464   4.150496   3.761579   2.884672
    24  H    2.159407   2.525183   4.229778   4.876150   4.078115
    25  H    2.159974   3.098896   6.432956   6.119205   4.990272
    26  H    2.159872   3.097405   5.776045   6.063507   5.309479
    27  H    2.130480   2.488972   7.195963   7.434619   6.448800
                   11         12         13         14         15
    11  C    0.000000
    12  H    7.145198   0.000000
    13  H    6.922436   1.771938   0.000000
    14  H    4.996254   2.794297   3.732914   0.000000
    15  H    5.072008   3.072298   2.498562   3.064242   0.000000
    16  H    5.916463   2.499303   2.964819   2.467045   1.768425
    17  H    4.827772   3.778221   2.674771   3.833527   2.487248
    18  H    6.093515   3.667942   2.712580   4.307649   3.809802
    19  H    4.508910   4.323529   3.768084   3.733081   3.788614
    20  H    6.718040   2.506336   3.659902   2.424425   4.513736
    21  H    5.760680   3.734717   4.239291   2.933285   4.772463
    22  H    7.062665   2.993961   3.348675   3.672535   4.799314
    23  H    2.630255   4.639382   4.296490   3.066823   2.593755
    24  H    3.524835   5.183801   5.852405   2.410947   4.544009
    25  H    1.091959   6.956358   6.626456   4.999088   4.531800
    26  H    1.091999   6.926991   6.538261   5.029776   4.967985
    27  H    1.087032   8.222600   8.003057   5.997443   6.125416
                   16         17         18         19         20
    16  H    0.000000
    17  H    3.927377   0.000000
    18  H    4.831004   1.761190   0.000000
    19  H    4.834797   1.766800   1.766227   0.000000
    20  H    4.082197   4.319585   3.742862   3.774610   0.000000
    21  H    4.904578   3.776777   3.113155   2.577391   1.767562
    22  H    4.930590   3.757106   2.535211   3.100868   1.767111
    23  H    3.642116   2.477024   3.887435   2.695660   4.705717
    24  H    4.330872   4.953492   5.672557   4.374418   4.206140
    25  H    5.449571   4.655622   6.140515   4.746660   6.916843
    26  H    6.021099   4.201999   5.352201   3.735106   6.436398
    27  H    6.948446   5.843849   7.075446   5.448275   7.700380
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766490   0.000000
    23  H    4.090331   4.954836   0.000000
    24  H    3.860863   5.307570   3.062570   0.000000
    25  H    6.162453   7.284688   2.434924   3.867703   0.000000
    26  H    5.292025   6.520047   2.429952   3.870552   1.760809
    27  H    6.669995   8.044836   3.713092   4.286617   1.778786
                   26         27
    26  H    0.000000
    27  H    1.778747   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 2.14D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.753212    0.261201    1.693960
      2          6           0       -1.991275    0.379275    0.192703
      3          6           0       -0.849009   -0.284062   -0.673672
      4          6           0        0.523957   -0.362760   -0.129190
      5          6           0        1.600074    0.202273   -0.683932
      6          6           0        2.971335    0.145334   -0.139740
      7          8           0        3.879212    0.705568   -0.725256
      8          6           0       -2.328795    1.809261   -0.188051
      9          6           0       -2.945679   -0.733150   -0.326549
     10          6           0       -1.715204   -1.570236   -0.737989
     11          6           0        3.228267   -0.612295    1.146957
     12          1           0       -3.520012   -0.399442   -1.191692
     13          1           0       -3.631250   -1.169043    0.400509
     14          1           0       -0.830366    0.203561   -1.650261
     15          1           0       -1.427501   -2.287210    0.031723
     16          1           0       -1.746461   -2.086631   -1.696096
     17          1           0       -1.522157   -0.762423    1.994493
     18          1           0       -2.649402    0.568790    2.237355
     19          1           0       -0.929068    0.901723    2.015625
     20          1           0       -2.519952    1.897738   -1.259237
     21          1           0       -1.507307    2.484467    0.065367
     22          1           0       -3.220245    2.153813    0.342854
     23          1           0        0.639748   -0.919587    0.795696
     24          1           0        1.514703    0.761846   -1.609834
     25          1           0        2.945548   -1.661881    1.042967
     26          1           0        2.641207   -0.194560    1.967518
     27          1           0        4.286065   -0.544744    1.388076
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.1384318           0.4996663           0.4923175
 Leave Link  202 at Sun Sep 26 19:47:34 2021, MaxMem=  6442450944 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       608.1382990542 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0192744152 Hartrees.
 Nuclear repulsion after empirical dispersion term =      608.1190246390 Hartrees.
 Leave Link  301 at Sun Sep 26 19:47:35 2021, MaxMem=  6442450944 cpu:               4.5 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.80D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               3.0 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer07_wB97XD-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Sun Sep 26 19:47:36 2021, MaxMem=  6442450944 cpu:               2.8 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6442165951 LenY=  6442026381
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.432523515022    
 DIIS: error= 4.19D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.432523515022     IErMin= 1 ErrMin= 4.19D-03
 ErrMax= 4.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.14D-02 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.19D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.341 Goal=   None    Shift=    0.000
 GapD=    0.341 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=7.00D-03 MaxDP=4.31D-01              OVMax= 1.68D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.48D-03    CP:  1.12D+00
 E= -465.442268242806     Delta-E=       -0.009744727784 Rises=F Damp=F
 DIIS: error= 5.63D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.442268242806     IErMin= 2 ErrMin= 5.63D-04
 ErrMax= 5.63D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.90D-04 BMatP= 1.14D-02
 IDIUse=3 WtCom= 9.94D-01 WtEn= 5.63D-03
 Coeff-Com: -0.293D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.291D-01 0.103D+01
 Gap=     0.346 Goal=   None    Shift=    0.000
 RMSDP=9.63D-04 MaxDP=8.41D-02 DE=-9.74D-03 OVMax= 7.77D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  4.22D-04    CP:  1.14D+00  1.12D+00
 E= -465.442593056524     Delta-E=       -0.000324813718 Rises=F Damp=F
 DIIS: error= 7.10D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -465.442593056524     IErMin= 2 ErrMin= 5.63D-04
 ErrMax= 7.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.21D-04 BMatP= 2.90D-04
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.10D-03
 Coeff-Com: -0.450D-01 0.485D+00 0.560D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.447D-01 0.482D+00 0.563D+00
 Gap=     0.342 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=9.97D-03 DE=-3.25D-04 OVMax= 3.42D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.84D-05    CP:  1.14D+00  1.12D+00  1.05D+00
 E= -465.442750402694     Delta-E=       -0.000157346170 Rises=F Damp=F
 DIIS: error= 1.79D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.442750402694     IErMin= 4 ErrMin= 1.79D-04
 ErrMax= 1.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.04D-05 BMatP= 2.21D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.79D-03
 Coeff-Com: -0.169D-01 0.108D+00 0.252D+00 0.657D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.168D-01 0.108D+00 0.251D+00 0.658D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=4.66D-05 MaxDP=1.57D-03 DE=-1.57D-04 OVMax= 1.07D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.01D-05    CP:  1.14D+00  1.13D+00  1.09D+00  1.02D+00
 E= -465.442766826614     Delta-E=       -0.000016423920 Rises=F Damp=F
 DIIS: error= 5.97D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.442766826614     IErMin= 5 ErrMin= 5.97D-05
 ErrMax= 5.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.11D-06 BMatP= 2.04D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.196D-02-0.467D-01-0.207D-01 0.245D+00 0.821D+00
 Coeff:      0.196D-02-0.467D-01-0.207D-01 0.245D+00 0.821D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=2.28D-05 MaxDP=1.47D-03 DE=-1.64D-05 OVMax= 6.12D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.53D-05    CP:  1.14D+00  1.13D+00  1.12D+00  1.08D+00  9.38D-01
 E= -465.442769320972     Delta-E=       -0.000002494358 Rises=F Damp=F
 DIIS: error= 5.96D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.442769320972     IErMin= 6 ErrMin= 5.96D-06
 ErrMax= 5.96D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.53D-08 BMatP= 2.11D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.931D-03-0.135D-01-0.109D-01 0.270D-01 0.168D+00 0.828D+00
 Coeff:      0.931D-03-0.135D-01-0.109D-01 0.270D-01 0.168D+00 0.828D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.34D-06 MaxDP=3.76D-04 DE=-2.49D-06 OVMax= 1.31D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.52D-06    CP:  1.14D+00  1.13D+00  1.12D+00  1.09D+00  9.66D-01
                    CP:  1.08D+00
 E= -465.442769392342     Delta-E=       -0.000000071370 Rises=F Damp=F
 DIIS: error= 3.45D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.442769392342     IErMin= 7 ErrMin= 3.45D-06
 ErrMax= 3.45D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.64D-09 BMatP= 4.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.124D-03 0.299D-03-0.656D-03-0.175D-01-0.288D-01 0.281D+00
 Coeff-Com:  0.765D+00
 Coeff:      0.124D-03 0.299D-03-0.656D-03-0.175D-01-0.288D-01 0.281D+00
 Coeff:      0.765D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.57D-06 MaxDP=8.26D-05 DE=-7.14D-08 OVMax= 5.59D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.01D-06    CP:  1.14D+00  1.13D+00  1.12D+00  1.09D+00  9.74D-01
                    CP:  1.14D+00  9.74D-01
 E= -465.442769407719     Delta-E=       -0.000000015377 Rises=F Damp=F
 DIIS: error= 8.33D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.442769407719     IErMin= 8 ErrMin= 8.33D-07
 ErrMax= 8.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.95D-10 BMatP= 9.64D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.102D-03 0.193D-02 0.163D-02-0.823D-02-0.307D-01-0.591D-01
 Coeff-Com:  0.161D+00 0.934D+00
 Coeff:     -0.102D-03 0.193D-02 0.163D-02-0.823D-02-0.307D-01-0.591D-01
 Coeff:      0.161D+00 0.934D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=5.84D-07 MaxDP=1.51D-05 DE=-1.54D-08 OVMax= 3.18D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.92D-07    CP:  1.14D+00  1.13D+00  1.12D+00  1.09D+00  9.75D-01
                    CP:  1.16D+00  1.04D+00  1.13D+00
 E= -465.442769409655     Delta-E=       -0.000000001937 Rises=F Damp=F
 DIIS: error= 1.80D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.442769409655     IErMin= 9 ErrMin= 1.80D-07
 ErrMax= 1.80D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.89D-11 BMatP= 7.95D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.270D-04 0.348D-03 0.370D-03-0.660D-03-0.394D-02-0.269D-01
 Coeff-Com: -0.183D-01 0.183D+00 0.866D+00
 Coeff:     -0.270D-04 0.348D-03 0.370D-03-0.660D-03-0.394D-02-0.269D-01
 Coeff:     -0.183D-01 0.183D+00 0.866D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.44D-07 MaxDP=8.93D-06 DE=-1.94D-09 OVMax= 8.11D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.03D-07    CP:  1.14D+00  1.13D+00  1.12D+00  1.09D+00  9.75D-01
                    CP:  1.16D+00  1.05D+00  1.20D+00  1.07D+00
 E= -465.442769409774     Delta-E=       -0.000000000119 Rises=F Damp=F
 DIIS: error= 7.08D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.442769409774     IErMin=10 ErrMin= 7.08D-08
 ErrMax= 7.08D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.97D-12 BMatP= 4.89D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.716D-05-0.187D-03-0.131D-03 0.980D-03 0.346D-02 0.218D-02
 Coeff-Com: -0.290D-01-0.863D-01 0.215D+00 0.894D+00
 Coeff:      0.716D-05-0.187D-03-0.131D-03 0.980D-03 0.346D-02 0.218D-02
 Coeff:     -0.290D-01-0.863D-01 0.215D+00 0.894D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=7.30D-08 MaxDP=7.72D-06 DE=-1.19D-10 OVMax= 3.30D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.02D-08    CP:  1.14D+00  1.13D+00  1.12D+00  1.09D+00  9.75D-01
                    CP:  1.16D+00  1.05D+00  1.21D+00  1.16D+00  1.12D+00
 E= -465.442769409796     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 1.60D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.442769409796     IErMin=11 ErrMin= 1.60D-08
 ErrMax= 1.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.45D-13 BMatP= 7.97D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.406D-05-0.752D-04-0.599D-04 0.289D-03 0.116D-02 0.286D-02
 Coeff-Com: -0.516D-02-0.345D-01-0.236D-01 0.184D+00 0.875D+00
 Coeff:      0.406D-05-0.752D-04-0.599D-04 0.289D-03 0.116D-02 0.286D-02
 Coeff:     -0.516D-02-0.345D-01-0.236D-01 0.184D+00 0.875D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=1.67D-08 MaxDP=5.29D-07 DE=-2.23D-11 OVMax= 8.19D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.16D-08    CP:  1.14D+00  1.13D+00  1.12D+00  1.09D+00  9.75D-01
                    CP:  1.16D+00  1.05D+00  1.21D+00  1.17D+00  1.19D+00
                    CP:  1.20D+00
 E= -465.442769409778     Delta-E=        0.000000000018 Rises=F Damp=F
 DIIS: error= 6.62D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=11 EnMin= -465.442769409796     IErMin=12 ErrMin= 6.62D-09
 ErrMax= 6.62D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.62D-14 BMatP= 5.45D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.402D-07 0.495D-05 0.421D-05-0.520D-04-0.137D-03 0.242D-03
 Coeff-Com:  0.200D-02 0.338D-02-0.246D-01-0.639D-01 0.166D+00 0.917D+00
 Coeff:      0.402D-07 0.495D-05 0.421D-05-0.520D-04-0.137D-03 0.242D-03
 Coeff:      0.200D-02 0.338D-02-0.246D-01-0.639D-01 0.166D+00 0.917D+00
 Gap=     0.343 Goal=   None    Shift=    0.000
 RMSDP=6.39D-09 MaxDP=5.95D-07 DE= 1.84D-11 OVMax= 2.63D-07

 SCF Done:  E(RwB97XD) =  -465.442769410     A.U. after   12 cycles
            NFock= 12  Conv=0.64D-08     -V/T= 2.0119
 KE= 4.599891678828D+02 PE=-2.293956187022D+03 EE= 7.604052250909D+02
 Leave Link  502 at Sun Sep 26 19:50:00 2021, MaxMem=  6442450944 cpu:            1147.9 elap:             143.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.45814051D+02

 Leave Link  801 at Sun Sep 26 19:50:00 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 5.53D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 1.73D-01 7.07D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 2.95D-02 7.86D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 4.92D-03 2.31D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 5.11D-04 5.27D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 3.83D-05 9.24D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 1.40D-06 2.09D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 4.04D-08 3.01D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 1.33D-09 6.50D-06.
     11 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 3.36D-11 1.34D-06.
      8 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 6.35D-13 1.68D-07.
      1 vectors produced by pass 11 Test12= 2.16D-13 8.33D-09 XBig12= 1.86D-14 1.74D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   119 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.169043D+03
      2  0.861434D+01  0.109690D+03
      3 -0.454667D+01 -0.438392D+01  0.110499D+03
 Isotropic polarizability for W=    0.085645      129.74 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.814724D+02  0.487449D+02 -0.203485D+02
      2  -0.562825D+02 -0.347888D+02 -0.131315D+02
      3  -0.251899D+02 -0.139561D+02  0.334800D+02
      4   0.422015D+02 -0.825959D+02 -0.517067D+02
      5  -0.136471D+02 -0.544825D+02 -0.400311D+02
      6  -0.294554D+02  0.154576D+01  0.335789D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.669692D+01  0.953357D+01  0.279798D+01
      2   0.166880D+02 -0.153217D+02 -0.214393D+02
      3  -0.308862D+02  0.373593D+02  0.217835D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.277578D+01  0.146773D+02 -0.173140D+02
      2  -0.670136D+01 -0.222514D+02 -0.148411D+02
      3  -0.654340D+01  0.263135D+02  0.250271D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.253694D+01 -0.555840D+01  0.403988D+01
      2  -0.555840D+01  0.198044D+01 -0.254594D+01
      3   0.403988D+01 -0.254594D+01 -0.475254D+01
 OR G Eigenvalues:    -6.5497    -3.0679     9.3825  Iso=     0.0784
 Eigenvectors:
   (1)  -0.399387   0.013350   0.916685
   (2)   0.587969   0.770905   0.244943
   (3)   0.703408  -0.636810   0.315739
 w=    0.085645 a.u., Optical Rotation Beta=      0.0784 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =       24.42 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 3.78D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.09D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.26D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 3.75D-02 5.79D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 2.56D-03 1.30D-02.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 3.16D-05 1.01D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 8.18D-07 1.30D-04.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.63D-08 1.32D-05.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 1.63D-10 1.11D-06.
     30 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.45D-12 1.17D-07.
     14 vectors produced by pass  8 Test12= 3.60D-14 2.78D-09 XBig12= 1.20D-14 7.65D-09.
      1 vectors produced by pass  9 Test12= 3.60D-14 2.78D-09 XBig12= 1.10D-15 3.34D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.00D-15
 Solved reduced A of dimension   255 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.62D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 1.62D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169043D+03  0.861434D+01 -0.454667D+01
      2   0.861434D+01  0.109690D+03 -0.438392D+01
      3  -0.454667D+01 -0.438392D+01  0.110499D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.669692D+01  0.953357D+01  0.279798D+01
      2   0.166880D+02 -0.153217D+02 -0.214393D+02
      3  -0.308862D+02  0.373593D+02  0.217835D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.814724D+02  0.487449D+02 -0.203485D+02
      2  -0.562825D+02 -0.347888D+02 -0.131315D+02
      3  -0.251899D+02 -0.139561D+02  0.334800D+02
      4   0.422015D+02 -0.825959D+02 -0.517067D+02
      5  -0.136471D+02 -0.544825D+02 -0.400311D+02
      6  -0.294554D+02  0.154576D+01  0.335789D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.299112D+01 -0.318492D+01 -0.477346D+01 -0.379565D+01 -0.233965D+01
      2  -0.318492D+01 -0.225734D+01  0.182107D+00 -0.233965D+01  0.339917D+01
      3  -0.477346D+01  0.182107D+00  0.204350D+01  0.473283D+00 -0.300319D+01
                 6             7             8             9            10 
      1   0.473283D+00 -0.407763D+01  0.528146D+00  0.209541D+01 -0.206618D+02
      2  -0.300319D+01  0.528146D+00 -0.240992D+01 -0.122742D+01  0.478909D+01
      3  -0.949919D+00  0.209541D+01 -0.122742D+01  0.270873D+01  0.550931D+01
                11            12            13            14            15 
      1   0.478909D+01  0.550931D+01  0.704155D+01  0.377297D+00 -0.939046D+00
      2   0.200399D+01  0.161340D-02  0.377297D+00 -0.757906D+00  0.246653D+01
      3   0.161340D-02 -0.231894D+01 -0.939046D+00  0.246653D+01  0.178656D+01
                16            17            18            19            20 
      1   0.152539D+02 -0.920522D+00 -0.401537D+01  0.443838D+02  0.193782D+01
      2  -0.920522D+00  0.289322D+01  0.236807D+01  0.193782D+01  0.344328D+01
      3  -0.401537D+01  0.236807D+01 -0.317483D+01 -0.329818D+01  0.139442D+01
                21            22            23            24            25 
      1  -0.329818D+01 -0.224734D+01  0.734427D+01  0.388911D+01 -0.568269D+01
      2   0.139442D+01  0.734427D+01  0.191234D+01  0.608140D+00  0.311182D+01
      3   0.141526D+01  0.388911D+01  0.608140D+00 -0.387189D+01  0.284191D+01
                26            27            28            29            30 
      1   0.311182D+01  0.284191D+01 -0.615065D+02 -0.664933D+01  0.424098D+01
      2   0.503451D+00 -0.325062D+01 -0.664933D+01 -0.328563D+01 -0.193360D+00
      3  -0.325062D+01  0.278131D+01  0.424098D+01 -0.193360D+00 -0.225052D+01
                31            32            33            34            35 
      1  -0.140569D+02 -0.705582D+01 -0.788642D+00  0.853477D+01  0.198953D+00
      2  -0.705582D+01 -0.405496D+01 -0.108777D+01  0.198953D+00 -0.796236D+00
      3  -0.788642D+00 -0.108777D+01  0.208636D+01 -0.468947D+01  0.182411D+01
                36            37            38            39            40 
      1  -0.468947D+01  0.600901D+02  0.916848D+01 -0.549527D+01  0.147661D+02
      2   0.182411D+01  0.916848D+01  0.273749D+01  0.239843D-01  0.582015D+01
      3  -0.132967D+01 -0.549527D+01  0.239843D-01  0.108711D+01  0.237398D+00
                41            42            43            44            45 
      1   0.582015D+01  0.237398D+00 -0.747651D+01  0.256351D+00  0.360358D+01
      2   0.315639D+01  0.807056D+00  0.256351D+00  0.624663D+00 -0.267059D+01
      3   0.807056D+00 -0.303897D+01  0.360358D+01 -0.267059D+01  0.130383D+01
                46            47            48            49            50 
      1  -0.432001D+02 -0.888279D+01  0.512567D+01 -0.113640D+02 -0.304768D+01
      2  -0.888279D+01 -0.182488D+01  0.162057D+01 -0.304768D+01 -0.115786D+01
      3   0.512567D+01  0.162057D+01 -0.882501D+00  0.224902D+01 -0.630557D-01
                51            52            53            54            55 
      1   0.224902D+01  0.419582D+01  0.209864D+01 -0.180680D+01  0.353822D+02
      2  -0.630557D-01  0.209864D+01  0.249977D+00  0.998412D+00  0.703476D+01
      3   0.101952D+01 -0.180680D+01  0.998412D+00 -0.120663D+01 -0.498370D+01
                56            57            58            59            60 
      1   0.703476D+01 -0.498370D+01  0.167949D+02  0.736881D+01 -0.153864D+01
      2   0.292733D+01 -0.130780D+01  0.736881D+01  0.503453D+01 -0.198856D+01
      3  -0.130780D+01  0.262867D+01 -0.153864D+01 -0.198856D+01  0.996223D+00
                61            62            63            64            65 
      1  -0.180303D+02 -0.326667D+01  0.553721D+01  0.648297D+01 -0.452259D+01
      2  -0.326667D+01 -0.156240D+01  0.178749D+01 -0.452259D+01 -0.197414D+01
      3   0.553721D+01  0.178749D+01 -0.409867D+01 -0.304724D+01  0.446038D+00
                66            67            68            69            70 
      1  -0.304724D+01 -0.414570D+01 -0.180081D+01  0.661911D+00 -0.582174D+01
      2   0.446038D+00 -0.180081D+01  0.850639D+00 -0.217128D+01  0.834519D+00
      3   0.201726D+01  0.661911D+00 -0.217128D+01 -0.102202D+01  0.275344D+01
                71            72            73            74            75 
      1   0.834519D+00  0.275344D+01  0.355827D+00  0.928799D+00 -0.425624D+00
      2  -0.226513D+01 -0.201996D+01  0.928799D+00 -0.282241D+01 -0.293617D+01
      3  -0.201996D+01  0.560092D+01 -0.425624D+00 -0.293617D+01  0.219455D+01
                76            77            78            79            80 
      1   0.163031D+01 -0.312289D+01 -0.419921D+01 -0.101441D+01 -0.404760D+01
      2  -0.312289D+01 -0.229415D+01 -0.129045D+01 -0.404760D+01 -0.164596D+01
      3  -0.419921D+01 -0.129045D+01 -0.108317D+01  0.322316D+01 -0.778983D+00
                81            82            83            84            85 
      1   0.322316D+01 -0.778088D+01 -0.651616D+01 -0.197644D+01 -0.854190D+01
      2  -0.778983D+00 -0.651616D+01 -0.254150D+01  0.102097D+01 -0.451990D+01
      3   0.134830D+01 -0.197644D+01  0.102097D+01 -0.373804D-01  0.356691D+00
                86            87            88            89            90 
      1  -0.451990D+01  0.356691D+00  0.374244D+01  0.194992D+01 -0.110008D+00
      2   0.465509D+00 -0.649560D-01  0.194992D+01  0.703332D+00  0.457645D+01
      3  -0.649560D-01  0.349008D+01 -0.110008D+00  0.457645D+01  0.185610D+01
                91            92            93            94            95 
      1  -0.878583D+01 -0.705280D+00 -0.270822D+01 -0.223982D+01  0.143786D+01
      2  -0.705280D+00  0.215365D+01 -0.208451D+00  0.143786D+01  0.429118D+01
      3  -0.270822D+01 -0.208451D+00  0.279755D+01 -0.724332D+00 -0.120899D+00
                96            97            98            99           100 
      1  -0.724332D+00 -0.665909D+00 -0.604089D+00  0.291002D+01 -0.499144D+01
      2  -0.120899D+00 -0.604089D+00  0.566006D+00 -0.200239D+01  0.224594D+00
      3  -0.233623D+01  0.291002D+01 -0.200239D+01 -0.476755D+00 -0.253093D+01
               101           102           103           104           105 
      1   0.224594D+00 -0.253093D+01  0.152910D+01 -0.765886D+00  0.126303D+01
      2  -0.650301D+00  0.425151D+00 -0.765886D+00  0.960807D+00 -0.629784D+00
      3   0.425151D+00 -0.229733D+01  0.126303D+01 -0.629784D+00  0.119476D+01
               106           107           108           109           110 
      1  -0.416482D+01  0.790376D+00 -0.358608D+01 -0.680046D+01 -0.228513D+01
      2   0.790376D+00 -0.124643D+01  0.303422D+00 -0.228513D+01 -0.138332D+01
      3  -0.358608D+01  0.303422D+00 -0.438980D+01  0.208089D+01  0.961777D+00
               111           112           113           114           115 
      1   0.208089D+01 -0.251804D+01 -0.187952D+01  0.123352D+01  0.464988D+01
      2   0.961777D+00 -0.187952D+01 -0.183913D+01  0.959744D+00  0.191936D+01
      3  -0.181806D+01  0.123352D+01  0.959744D+00 -0.799415D+00 -0.298379D+01
               116           117           118           119           120 
      1   0.191936D+01 -0.298379D+01  0.313735D+00  0.593041D+00 -0.697815D+00
      2   0.175416D+01 -0.953344D+00  0.593041D+00 -0.253750D+00 -0.260629D+00
      3  -0.953344D+00  0.245600D+01 -0.697815D+00 -0.260629D+00 -0.949330D-03
               121           122           123           124           125 
      1   0.191786D+01 -0.619136D+00 -0.861057D-01 -0.933757D+00  0.215265D-01
      2  -0.619136D+00  0.132606D+01 -0.133194D+01  0.215265D-01 -0.174039D+01
      3  -0.861057D-01 -0.133194D+01  0.219472D+01 -0.560813D+00  0.154873D+01
               126           127           128           129           130 
      1  -0.560813D+00  0.100905D+01 -0.308389D+00  0.693624D+00 -0.189090D+00
      2   0.154873D+01 -0.308389D+00  0.164564D+01 -0.502524D+00  0.703862D+00
      3  -0.583497D+01  0.693624D+00 -0.502524D+00  0.546298D+00 -0.315647D+00
               131           132           133           134           135 
      1   0.703862D+00 -0.315647D+00  0.135849D+01 -0.337945D+00  0.180307D+00
      2  -0.526952D+01  0.160982D+01 -0.337945D+00  0.337002D+01 -0.216521D+01
      3   0.160982D+01 -0.171432D+01  0.180307D+00 -0.216521D+01  0.211333D+01
               136           137           138           139           140 
      1   0.100231D+01 -0.251716D+00 -0.743096D+00  0.125325D+01 -0.346335D+00
      2  -0.251716D+00  0.219273D+00 -0.133937D+00 -0.346335D+00 -0.431041D+01
      3  -0.743096D+00 -0.133937D+00 -0.443877D-01 -0.567555D+00 -0.280380D+01
               141           142           143           144           145 
      1  -0.567555D+00 -0.210031D+01 -0.123218D+01 -0.959577D+00  0.550908D+00
      2  -0.280380D+01 -0.123218D+01 -0.451418D+01 -0.455292D+01 -0.591346D+00
      3  -0.278759D+01 -0.959577D+00 -0.455292D+01 -0.596301D+01  0.849423D+00
               146           147           148           149           150 
      1  -0.591346D+00  0.849423D+00 -0.900580D+00  0.869382D+00 -0.152899D+00
      2   0.882614D+00 -0.314378D+00  0.869382D+00 -0.531472D+01  0.229494D+01
      3  -0.314378D+00  0.367993D+00 -0.152899D+00  0.229494D+01 -0.296039D+01
               151           152           153           154           155 
      1   0.631114D+00 -0.218214D+00  0.926328D-01 -0.611853D+01  0.152350D+01
      2  -0.218214D+00  0.163621D+01 -0.147010D+01  0.152350D+01 -0.116803D+01
      3   0.926328D-01 -0.147010D+01  0.137506D+01  0.403201D+01 -0.910278D+00
               156           157           158           159           160 
      1   0.403201D+01  0.148672D+01 -0.971291D+00 -0.942004D+00  0.232577D+01
      2  -0.910278D+00 -0.971291D+00  0.726384D+00  0.132619D+01 -0.700539D+00
      3  -0.423107D+01 -0.942004D+00  0.132619D+01  0.148444D+01 -0.282299D+01
               161           162           163           164           165 
      1  -0.700539D+00 -0.282299D+01  0.376541D+01  0.164611D+01  0.156268D+01
      2   0.873163D+00  0.957785D+00  0.164611D+01  0.196260D+01  0.108768D+01
      3   0.957785D+00  0.356672D+01  0.156268D+01  0.108768D+01  0.239357D+01
               166           167           168           169           170 
      1   0.171939D+01  0.141442D+01  0.807191D+00  0.674384D+00  0.526322D+00
      2   0.141442D+01  0.212909D+01  0.166040D+01  0.526322D+00  0.958954D+00
      3   0.807191D+00  0.166040D+01  0.213336D+01  0.106029D+01  0.106061D+01
               171           172           173           174           175 
      1   0.106029D+01 -0.140092D+01  0.914956D+00 -0.861028D+00  0.466097D+00
      2   0.106061D+01  0.914956D+00 -0.202180D+00  0.283878D+00 -0.881981D-01
      3   0.167244D+01 -0.861028D+00  0.283878D+00 -0.118434D+01  0.219671D+00
               176           177           178           179           180 
      1  -0.881981D-01  0.219671D+00 -0.149609D+01  0.864644D+00 -0.202445D+01
      2   0.463679D+00 -0.921262D+00  0.864644D+00 -0.226030D+01  0.205359D+01
      3  -0.921262D+00  0.669496D+00 -0.202445D+01  0.205359D+01 -0.712738D+01
               181           182           183           184           185 
      1   0.238090D+01  0.195103D+01  0.748725D+00  0.156290D+01  0.164329D+01
      2   0.195103D+01  0.418359D+01  0.415956D+00  0.164329D+01  0.486930D+01
      3   0.748725D+00  0.415956D+00  0.881880D+00  0.247765D+00  0.788646D+00
               186           187           188           189           190 
      1   0.247765D+00  0.991022D+00  0.149114D+00  0.233244D+00 -0.720849D+01
      2   0.788646D+00  0.149114D+00  0.154571D+01  0.110266D+01  0.387949D+01
      3   0.881790D+00  0.233244D+00  0.110266D+01  0.212485D+00  0.210029D+01
               191           192           193           194           195 
      1   0.387949D+01  0.210029D+01  0.126949D+01 -0.199665D+01 -0.748633D+00
      2  -0.283890D+01 -0.906634D+00 -0.199665D+01  0.216357D+01  0.980502D+00
      3  -0.906634D+00 -0.181334D+01 -0.748633D+00  0.980502D+00  0.655651D+00
               196           197           198           199           200 
      1   0.360455D+01 -0.178562D+01 -0.205058D+01 -0.129628D+01 -0.933656D+00
      2  -0.178562D+01  0.218317D+01  0.127500D+01 -0.933656D+00 -0.150012D-01
      3  -0.205058D+01  0.127500D+01  0.133622D+01  0.128675D+01 -0.199466D+00
               201           202           203           204           205 
      1   0.128675D+01 -0.163943D+01  0.867283D+00  0.340502D+00  0.170841D+01
      2  -0.199466D+00  0.867283D+00 -0.125997D+01  0.143322D+01  0.384961D+00
      3   0.320470D+00  0.340502D+00  0.143322D+01 -0.187833D+01  0.484779D+00
               206           207           208           209           210 
      1   0.384961D+00  0.484779D+00  0.823150D+00  0.676182D+00 -0.839572D+00
      2   0.175044D+01 -0.176508D+01  0.676182D+00  0.554873D-01  0.398292D-01
      3  -0.176508D+01  0.379823D+01 -0.839572D+00  0.398292D-01 -0.166351D+00
               211           212           213           214           215 
      1   0.117827D+01 -0.571713D-01 -0.450341D+00 -0.150512D+01 -0.318123D+00
      2  -0.571713D-01  0.185321D+01 -0.187099D+01 -0.318123D+00 -0.213836D+01
      3  -0.450341D+00 -0.187099D+01  0.283353D+01  0.102323D+00  0.249076D+01
               216           217           218           219           220 
      1   0.102323D+00  0.913426D+00 -0.618621D+00  0.914832D-01 -0.221278D+01
      2   0.249076D+01 -0.618621D+00 -0.116548D+01  0.271389D+00  0.349422D+00
      3  -0.566701D+01  0.914832D-01  0.271389D+00 -0.899548D+00 -0.651913D+00
               221           222           223           224           225 
      1   0.349422D+00 -0.651913D+00  0.634830D+00  0.179777D+00 -0.193436D+00
      2  -0.744225D+01  0.935207D+00  0.179777D+00 -0.372249D+00 -0.610964D+00
      3   0.935207D+00 -0.152249D+01 -0.193436D+00 -0.610964D+00  0.303265D+00
               226           227           228           229           230 
      1  -0.519232D+00  0.745769D+00  0.101006D+01  0.802279D+00 -0.475473D+00
      2   0.745769D+00 -0.101082D+01 -0.128742D+00 -0.475473D+00  0.434294D+00
      3   0.101006D+01 -0.128742D+00 -0.279948D+01 -0.102515D+00  0.113678D+01
               231           232           233           234           235 
      1  -0.102515D+00  0.269981D+01 -0.365025D+00 -0.682748D+00  0.982566D+01
      2   0.113678D+01 -0.365025D+00  0.116408D+01  0.957534D+00 -0.563679D+00
      3   0.207413D+01 -0.682748D+00  0.957534D+00  0.564314D+01  0.304866D+01
               236           237           238           239           240 
      1  -0.563679D+00  0.304866D+01  0.432990D+00  0.890358D+00  0.228381D+00
      2   0.117874D+01 -0.172993D+00  0.890358D+00 -0.335304D+00  0.340750D+00
      3  -0.172993D+00  0.205010D+01  0.228381D+00  0.340750D+00  0.464132D+00
               241           242           243 
      1   0.196411D+01 -0.179056D-01  0.136781D+01
      2  -0.179056D-01  0.174984D+00  0.162985D+00
      3   0.136781D+01  0.162985D+00  0.119267D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.556417D+01 -0.531429D+01  0.909681D-01 -0.491779D+01  0.955424D+01
      2   0.780801D+01  0.699047D+01  0.953533D+01  0.640221D+01  0.115677D+02
      3  -0.655172D+01 -0.756799D+01 -0.123442D+01 -0.371411D+01  0.511439D+01
                 6             7             8             9            10 
      1  -0.104296D+02 -0.678300D+00 -0.381181D+01 -0.233670D+01  0.689738D+00
      2   0.840795D+00  0.223603D+01  0.210098D+01 -0.852235D+01 -0.200125D+02
      3  -0.520109D+01 -0.507252D+00 -0.462733D+01 -0.173712D+01  0.132517D+02
                11            12            13            14            15 
      1   0.219710D+01  0.148025D+01  0.254734D+01 -0.441909D+01 -0.475770D+01
      2  -0.130935D+01  0.853588D+01 -0.124381D+01 -0.876317D+01 -0.486122D+01
      3   0.359527D+01  0.382501D+01  0.140078D+02  0.304187D+01  0.612891D+01
                16            17            18            19            20 
      1   0.457334D+00  0.554642D+01  0.350209D+01 -0.224906D+01 -0.794398D+00
      2   0.841255D+01 -0.518767D+01  0.715647D+01  0.257404D+02  0.239425D+01
      3  -0.100809D+01  0.603855D+01  0.389587D+01 -0.172512D+02 -0.590375D+01
                21            22            23            24            25 
      1  -0.873925D+00 -0.528520D+00 -0.133517D+01 -0.426703D+01 -0.635564D+00
      2   0.798191D+00  0.124196D+01  0.570368D+01  0.604143D+01 -0.152639D+02
      3   0.248005D-01  0.474067D+01 -0.435918D+01 -0.994027D+00 -0.918112D+00
                26            27            28            29            30 
      1   0.392664D+00  0.403637D+01  0.684639D+01 -0.696436D+00 -0.745743D+00
      2   0.445082D+01  0.914198D-01 -0.297213D+02 -0.503522D+01 -0.157027D+01
      3  -0.236758D+01 -0.293125D+01  0.153400D+02  0.572615D+01  0.240618D+00
                31            32            33            34            35 
      1  -0.402063D+01  0.131258D+01 -0.207359D+01 -0.255822D+01  0.270811D+01
      2  -0.148817D+02 -0.432206D+01 -0.222143D+00 -0.220271D+02 -0.321836D+01
      3   0.335142D+02  0.869298D+01 -0.157845D+01  0.328287D+01  0.143965D+01
                36            37            38            39            40 
      1  -0.385753D+01 -0.710128D+01  0.141516D+01  0.133680D+01  0.476260D+01
      2   0.407340D-01  0.228101D+02  0.539176D+01  0.435217D+01  0.140920D+02
      3   0.782588D+00 -0.222789D+02 -0.106874D+02  0.243548D+00 -0.117717D+01
                41            42            43            44            45 
      1  -0.654122D-02 -0.102271D+01  0.832210D+01  0.174141D+01  0.255377D+00
      2   0.594997D+01 -0.543516D+01 -0.108820D+02 -0.629236D+01  0.913523D+01
      3  -0.230556D+01 -0.345082D+01 -0.275641D+01 -0.525494D+01  0.386723D+01
                46            47            48            49            50 
      1   0.572303D+01 -0.748371D+01 -0.129001D+01 -0.393412D+01  0.837469D+01
      2  -0.725047D+01 -0.578989D+01 -0.863501D+01 -0.506355D+01  0.143336D+00
      3   0.151367D+02  0.157079D+02  0.248305D+00  0.239281D+02  0.659499D+01
                51            52            53            54            55 
      1  -0.103866D+02 -0.340731D+00 -0.256608D+00 -0.111866D+02 -0.334228D+01
      2  -0.272995D+01 -0.177847D+02  0.200597D+00 -0.472221D+01  0.653187D+01
      3   0.209772D+01  0.107222D+01 -0.662499D+00 -0.592969D+00 -0.117533D+02
                56            57            58            59            60 
      1   0.143069D+01 -0.976333D+00 -0.245308D+01 -0.339201D+01 -0.906494D+00
      2   0.850019D+00  0.171401D+02  0.603842D+01 -0.246177D+01  0.816155D+01
      3  -0.191410D+02  0.245836D+01 -0.145958D+02 -0.169987D+02  0.438133D+01
                61            62            63            64            65 
      1   0.566324D+00  0.315873D+01  0.362607D+01  0.684906D+01 -0.105115D+01
      2   0.292154D+01  0.331726D+01 -0.127100D+02  0.954029D+01 -0.202215D+01
      3   0.465906D+01  0.872798D+01 -0.468801D+01 -0.785307D+01 -0.193087D+02
                66            67            68            69            70 
      1  -0.509781D+01 -0.657944D+00  0.547120D+01  0.187066D+01 -0.778036D+01
      2  -0.358147D+01 -0.207383D+01  0.520880D+01  0.298588D+01 -0.107264D+02
      3  -0.530523D+01 -0.100239D+02 -0.397304D+01 -0.498417D+01 -0.285380D+01
                71            72            73            74            75 
      1   0.818327D+01 -0.127035D+02 -0.246153D+00 -0.255950D+01  0.305092D+01
      2   0.547309D+01 -0.136786D+02  0.180982D+01  0.126726D+02 -0.574192D+01
      3  -0.434348D+01  0.699559D-02  0.581390D+01 -0.161597D+02 -0.128425D+02
                76            77            78            79            80 
      1  -0.289146D+01 -0.419899D+00 -0.271656D+01  0.492761D+01  0.166699D+01
      2   0.162470D+02  0.380274D+01  0.159512D+01 -0.169501D+02 -0.816534D+00
      3  -0.890772D+01 -0.419950D+01 -0.169072D+01 -0.152358D+02 -0.795129D+00
                81            82            83            84            85 
      1   0.147827D+01 -0.125427D-01  0.495957D+01 -0.134758D+01  0.495047D+01
      2  -0.318850D+01 -0.206162D+01 -0.805784D+01  0.253305D+00 -0.114281D+02
      3  -0.525750D+01 -0.802205D+01  0.481608D+01  0.507831D+01  0.142681D+02
                86            87            88            89            90 
      1  -0.422800D+00  0.652985D+01 -0.935911D+00  0.149736D+02  0.991895D+00
      2  -0.406886D+01 -0.492688D+01 -0.290873D+01 -0.562813D+01 -0.260013D+01
      3   0.753007D+01 -0.270962D+01  0.703905D+01 -0.287339D+01  0.816599D+01
                91            92            93            94            95 
      1  -0.205310D+01  0.512860D+01  0.378574D+01 -0.230168D+01  0.729547D+01
      2  -0.255272D+01 -0.448537D-01  0.176536D+02 -0.976836D+00 -0.413630D+01
      3   0.649353D+01 -0.993506D+01  0.288142D+01 -0.658295D+00 -0.164926D+02
                96            97            98            99           100 
      1  -0.708786D+01 -0.102503D+01  0.421794D+01 -0.405426D+01 -0.208030D+01
      2  -0.993166D+01  0.826557D+01 -0.694446D+01 -0.570182D+01  0.509541D+01
      3   0.910950D+00  0.221658D+01 -0.361166D+01  0.460740D+01  0.475481D+01
               101           102           103           104           105 
      1   0.152757D+01 -0.189172D+01  0.111580D+01 -0.167266D+01  0.368602D+00
      2  -0.177198D+01  0.822459D+01 -0.348842D+01  0.169957D+01 -0.374794D+01
      3  -0.372434D+01  0.382425D+01 -0.186729D+01  0.481065D+01 -0.296325D+01
               106           107           108           109           110 
      1  -0.320681D+01  0.309465D+01 -0.342086D+01  0.261886D+01  0.394964D+00
      2   0.766057D+01 -0.918757D+00  0.137268D+02 -0.867713D+01 -0.396147D+01
      3   0.626745D+01 -0.603786D+01  0.410717D+01 -0.495734D+00 -0.490278D+01
               111           112           113           114           115 
      1  -0.265319D+01  0.187029D+01  0.834451D+00 -0.215114D+01 -0.291213D+01
      2   0.914844D+01 -0.521696D+01 -0.389917D+01  0.390516D+01  0.952934D+01
      3   0.124893D+01 -0.163924D+01 -0.490251D+01  0.201105D+01  0.222993D+01
               116           117           118           119           120 
      1   0.389986D+00  0.329061D+01 -0.597437D+00  0.922185D-01  0.113278D+00
      2   0.338777D+01 -0.108742D+02  0.240246D+01  0.576403D+00  0.597097D+00
      3   0.567711D+01 -0.327237D+00  0.874525D+00 -0.932206D+00  0.313157D+00
               121           122           123           124           125 
      1  -0.134737D+01 -0.266184D+01  0.668071D+00 -0.893328D+00  0.429149D+01
      2   0.181579D+01  0.609155D+00 -0.257051D+01 -0.370674D+01 -0.156731D+01
      3   0.156902D+01  0.958741D+00 -0.115779D+01  0.204739D-01 -0.159385D+01
               126           127           128           129           130 
      1  -0.252892D+01  0.230396D+01 -0.204207D+01  0.234741D+01 -0.158285D+01
      2   0.527268D+01 -0.734621D+00  0.822775D+00  0.534756D+00  0.110328D+01
      3   0.196316D+01 -0.334806D+01  0.227859D+01 -0.274739D+01  0.403697D+01
               131           132           133           134           135 
      1   0.699136D+01 -0.703054D+01  0.930114D+00 -0.583288D+01  0.843957D+01
      2  -0.195646D+01  0.227678D+01 -0.717470D+00  0.317597D+01 -0.299479D+01
      3  -0.106976D+02  0.380159D+01 -0.485621D+01  0.668822D+01 -0.489712D+01
               136           137           138           139           140 
      1  -0.106023D+01 -0.626328D+00  0.104156D+00 -0.567933D+00 -0.611260D+00
      2   0.170386D+01  0.628104D-01  0.258717D+00  0.157330D+00  0.455803D+01
      3  -0.806165D+00 -0.121995D+00  0.960937D+00  0.144083D+01 -0.749259D+01
               141           142           143           144           145 
      1  -0.504991D+01 -0.149686D+00 -0.279882D+01 -0.931974D+01 -0.151112D+01
      2   0.461664D+01 -0.267289D+01  0.685033D+01  0.965128D+01 -0.407922D+01
      3  -0.420552D+01  0.239317D+01 -0.650725D+01 -0.723550D+01 -0.152191D+01
               146           147           148           149           150 
      1   0.279412D+01 -0.261075D+00  0.256733D+01 -0.142054D+02  0.196199D+01
      2   0.218285D+01 -0.137143D+01  0.411908D+01 -0.702531D+01  0.576668D+01
      3   0.975040D+00 -0.365855D+00  0.392276D+01 -0.862550D+01  0.371268D+01
               151           152           153           154           155 
      1  -0.403139D+00  0.451319D+01 -0.302662D+01  0.189178D+01 -0.335371D+01
      2  -0.261489D+01  0.339346D+01 -0.260903D+01  0.471898D+01 -0.128351D+01
      3  -0.694913D+00  0.252302D+01 -0.248228D+01  0.123101D+01 -0.385389D+01
               156           157           158           159           160 
      1   0.155076D+00 -0.144871D+01  0.116470D+01  0.837619D+00 -0.878225D+00
      2   0.349383D+01 -0.204552D+01 -0.117090D+01 -0.176719D+01 -0.300755D+01
      3  -0.686155D+00 -0.611432D+00  0.158766D+01  0.231917D+01 -0.832303D-01
               161           162           163           164           165 
      1   0.318322D+01  0.364895D+00  0.280932D+01  0.480705D+01  0.252984D+00
      2  -0.327259D+00 -0.190662D+01 -0.144521D+02 -0.624406D+01 -0.637338D+01
      3   0.236239D+01  0.100146D+01  0.644819D+01  0.274998D+01  0.274985D+01
               166           167           168           169           170 
      1   0.284542D+01  0.397758D+01  0.485370D+00  0.803289D+00  0.291887D+01
      2  -0.692871D+01 -0.683343D+01 -0.498392D+01 -0.570337D+01 -0.345731D+01
      3   0.531291D+01  0.358326D+01  0.344524D+01  0.155263D+01  0.131724D+01
               171           172           173           174           175 
      1   0.130307D+01  0.155176D+01 -0.237309D+00  0.277098D+01 -0.768134D+00
      2  -0.522857D+01  0.149690D+01 -0.583298D+00  0.342180D+01 -0.348430D+00
      3   0.268705D+01  0.497118D+00  0.165365D+00 -0.842257D+00  0.130727D+01
               176           177           178           179           180 
      1   0.186258D+01 -0.237637D+01  0.384730D+01 -0.192479D+00  0.161508D+02
      2   0.218162D+01 -0.160329D+01  0.166140D+01 -0.446818D+01  0.174367D+02
      3   0.896378D+00 -0.176915D+01 -0.161688D+01 -0.498132D+01  0.216663D+01
               181           182           183           184           185 
      1  -0.192982D+01 -0.826123D+00 -0.336820D+01 -0.987917D+00 -0.218396D+01
      2  -0.146572D+01 -0.657271D+00 -0.369522D+00 -0.239442D+00 -0.145585D+01
      3   0.142972D+02  0.138517D+02  0.304094D+01  0.103752D+02  0.164986D+02
               186           187           188           189           190 
      1  -0.396001D+01 -0.816108D+00 -0.107621D+01 -0.701744D+00 -0.485236D+01
      2  -0.115653D+01 -0.135030D+01 -0.227335D+01 -0.264878D+00 -0.563636D+01
      3   0.286145D+01  0.289780D+01  0.420877D+01  0.347401D+01 -0.405237D+01
               191           192           193           194           195 
      1   0.163360D+01  0.529331D+01  0.240565D+01 -0.227356D+01 -0.284819D+01
      2   0.270792D+01  0.739392D+01  0.173526D+01 -0.289645D+01 -0.262944D+01
      3  -0.276225D+01  0.204509D+01  0.215504D+01  0.246904D+01  0.886458D+00
               196           197           198           199           200 
      1   0.404124D+01 -0.113840D+01 -0.327890D+01  0.303603D+00  0.340610D+00
      2   0.461296D+01 -0.314689D+01 -0.446622D+01 -0.491831D+00 -0.504319D+00
      3   0.174407D+01  0.373091D+01 -0.429807D+00  0.680018D+00  0.461691D+00
               201           202           203           204           205 
      1   0.232307D+00  0.434242D+01  0.691176D+00 -0.286630D+01  0.233140D+01
      2  -0.259378D+00  0.141855D+01  0.132216D+01 -0.814574D+00 -0.262700D+01
      3  -0.871697D+00  0.280711D+01  0.151984D+00 -0.313426D+00 -0.232586D+01
               206           207           208           209           210 
      1   0.133795D+01  0.348055D+01 -0.990998D+00  0.458373D+00  0.771218D-01
      2   0.110590D+00  0.260624D+01 -0.992649D+00  0.302842D+00  0.157146D+00
      3  -0.941849D+00  0.532936D+00 -0.178570D+01 -0.502316D+00  0.207130D+00
               211           212           213           214           215 
      1   0.199991D+01 -0.184746D+01 -0.406061D+00  0.100478D+01  0.377527D+01
      2   0.491869D+00 -0.383158D+01  0.508351D+01 -0.358609D+01  0.440693D+01
      3   0.321115D+01 -0.345919D+01  0.383743D+01  0.420667D+00  0.436144D+01
               216           217           218           219           220 
      1   0.626906D+00  0.112243D-01 -0.221832D+01 -0.109252D-01  0.357639D+00
      2  -0.100641D+02  0.870649D+00  0.219486D+01 -0.246026D+01  0.367254D+00
      3  -0.504517D+01  0.240223D+01  0.444336D+01 -0.106964D+01  0.188358D+01
               221           222           223           224           225 
      1  -0.115844D+02 -0.627660D+00  0.157144D+01 -0.759749D+00 -0.485589D+00
      2   0.421590D+01 -0.401756D+01 -0.480084D+00 -0.202696D+01  0.201083D+01
      3   0.261464D+02 -0.289838D+01 -0.143890D+01  0.159154D+01  0.223890D+01
               226           227           228           229           230 
      1   0.615279D+00 -0.185966D+01 -0.365665D+01  0.306900D+00  0.187939D+01
      2   0.671037D+01 -0.179520D+01 -0.120101D+02 -0.176358D+01  0.542080D+01
      3  -0.143972D+01  0.196236D+01 -0.338682D-01  0.119411D+01 -0.856288D+00
               231           232           233           234           235 
      1   0.326513D+01 -0.195991D+01  0.347173D+01  0.629494D+01  0.137686D+01
      2   0.838822D+01 -0.719995D+01  0.416701D+01  0.220973D+02 -0.138287D+01
      3  -0.396502D+01  0.136160D+00 -0.312722D+01 -0.244087D+01 -0.436529D+01
               236           237           238           239           240 
      1   0.188336D+01  0.108186D+01  0.608325D+00 -0.182395D+00 -0.276941D+00
      2  -0.280180D+00  0.612779D+01  0.468866D+00  0.437865D+00  0.173622D+01
      3  -0.607663D+01 -0.119951D+01 -0.195840D+01  0.590018D+00 -0.785372D+00
               241           242           243 
      1   0.674777D+00  0.114795D+01  0.867441D+00
      2   0.387701D+00  0.934006D+00  0.257914D+01
      3  -0.163666D+01 -0.941451D+00 -0.143256D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.337538D+01  0.127164D+02  0.169950D+02  0.115335D+02  0.143238D+02
      2   0.769641D+01 -0.939646D+01 -0.163052D+02 -0.926050D+01  0.119655D+01
      3  -0.110718D+02 -0.331992D+01 -0.689791D+00 -0.227297D+01 -0.155204D+02
      4   0.130077D+02  0.345790D+01 -0.676533D+01  0.527431D+01 -0.148230D+02
      5   0.247384D+02 -0.124411D+02 -0.250166D+02 -0.136956D+02  0.397476D+01
      6  -0.141160D+02 -0.813493D+01  0.239436D+01 -0.714885D+01  0.105724D+02
                 6             7             8             9            10 
      1  -0.111046D+00  0.129717D+02 -0.105144D+00 -0.164053D+02 -0.204942D+02
      2   0.329669D+01 -0.122657D+02  0.200064D+01 -0.235073D+01  0.173583D+02
      3  -0.318564D+01 -0.705929D+00 -0.189549D+01  0.187560D+02  0.313589D+01
      4   0.953050D+01 -0.708117D+01  0.812647D+01  0.649197D+01 -0.345364D+02
      5   0.446984D+01 -0.233268D+02  0.571118D+01 -0.257616D+01 -0.115570D+02
      6  -0.119537D+02  0.311820D+01 -0.102492D+02 -0.106739D+01  0.932501D+01
                11            12            13            14            15 
      1  -0.183696D+02 -0.773149D+01 -0.234114D+02 -0.223096D+02 -0.958797D+01
      2   0.134979D+02  0.513345D+01  0.167408D+02  0.201753D+01  0.572269D+01
      3   0.487165D+01  0.259804D+01  0.667063D+01  0.202921D+02  0.386528D+01
      4  -0.346714D+01  0.297718D+01 -0.554349D+01  0.265463D+01 -0.129391D+02
      5   0.147351D+00  0.115668D+02  0.166537D+01 -0.874222D+01 -0.545862D+01
      6  -0.200963D+01 -0.225355D+01  0.727489D+00  0.708150D+01  0.500123D+01
                16            17            18            19            20 
      1  -0.661261D-01 -0.880503D+01  0.986569D+01  0.626164D+02  0.105254D+02
      2  -0.513378D+01  0.811148D+01  0.143303D+01 -0.524978D+02 -0.105653D+02
      3   0.519991D+01  0.693548D+00 -0.112987D+02 -0.101187D+02  0.398665D-01
      4   0.797167D+01 -0.157141D+02 -0.119928D+02  0.181328D+02 -0.120643D+02
      5   0.116196D+02 -0.865844D+01  0.143971D+02 -0.191880D+02 -0.715220D+01
      6  -0.632197D+01  0.489246D+01 -0.571275D+01 -0.227805D+02 -0.563636D+01
                21            22            23            24            25 
      1   0.119235D+01  0.103145D+02  0.101087D+02 -0.134807D+01  0.248664D+01
      2  -0.174867D+01 -0.126320D+02 -0.725210D+01 -0.674802D+01  0.142142D+01
      3   0.556321D+00  0.231747D+01 -0.285661D+01  0.809609D+01 -0.390806D+01
      4  -0.678198D+01 -0.257260D+02 -0.664536D+01  0.233983D+01 -0.128433D+02
      5  -0.104654D+01 -0.118588D+02 -0.493024D+01  0.609037D+01 -0.678629D+01
      6  -0.125845D+01 -0.100224D+02 -0.611753D+01 -0.214744D+01 -0.100168D+01
                26            27            28            29            30 
      1  -0.124353D+01  0.617182D+01 -0.133772D+03 -0.135580D+02  0.537305D+01
      2  -0.756502D+01  0.662826D+01  0.855540D+02  0.775123D+01 -0.466205D+01
      3   0.880855D+01 -0.128001D+02  0.482176D+02  0.580673D+01 -0.710998D+00
      4   0.406648D+01  0.840759D+01 -0.217445D+02 -0.909032D+01  0.916544D+00
      5   0.453381D+01 -0.418052D+01  0.353447D+02  0.308146D+01 -0.112819D+02
      6  -0.980903D+00  0.702123D+01  0.259561D+02  0.539997D+01 -0.298058D+00
                31            32            33            34            35 
      1  -0.417595D+02 -0.279305D+02 -0.591324D+01  0.278249D+02 -0.337832D+01
      2   0.290125D+02  0.216857D+02  0.352009D+01 -0.145440D+02  0.579176D+01
      3   0.127471D+02  0.624480D+01  0.239315D+01 -0.132809D+02 -0.241344D+01
      4  -0.166307D+02 -0.122767D+02 -0.337751D+01  0.389344D+01 -0.377640D+01
      5   0.775288D+01  0.247248D+01 -0.400902D-01 -0.102410D+02  0.167221D+01
      6   0.770062D+01  0.106351D+02  0.404029D+01 -0.114952D+00  0.212639D+01
                36            37            38            39            40 
      1  -0.135923D+02  0.187727D+03  0.327456D+02 -0.163018D+02  0.373639D+02
      2   0.278547D+01 -0.108647D+03 -0.189479D+02  0.106757D+02 -0.176499D+02
      3   0.108068D+02 -0.790804D+02 -0.137978D+02  0.562611D+01 -0.197140D+02
      4   0.626109D+00  0.412214D+02  0.181244D+02 -0.177130D+00  0.320524D+02
      5   0.309169D-01 -0.513035D+02 -0.463749D+01  0.126580D+02 -0.117688D+01
      6   0.524963D+01 -0.253442D+02 -0.572265D+01  0.770502D+00 -0.107382D+02
                41            42            43            44            45 
      1   0.106378D+02 -0.952422D+01 -0.738317D+01 -0.850861D+01  0.110447D+02
      2   0.546145D+00 -0.206197D+01  0.112837D+02  0.358797D+01 -0.560647D+01
      3  -0.111840D+02  0.115862D+02 -0.390056D+01  0.492064D+01 -0.543820D+01
      4   0.758196D+01  0.786221D+00  0.929220D+01  0.671137D+01 -0.939218D+01
      5   0.109291D+01 -0.123506D+02  0.183987D+02 -0.806972D+01  0.605523D+01
      6  -0.451316D+00  0.106979D+01  0.106535D+01 -0.248227D+00  0.969366D+01
                46            47            48            49            50 
      1  -0.176187D+03 -0.365349D+02  0.301861D+02 -0.614652D+02 -0.213047D+02
      2   0.923526D+02  0.160857D+02 -0.156598D+02  0.312010D+02  0.115220D+02
      3   0.838344D+02  0.204492D+02 -0.145264D+02  0.302642D+02  0.978273D+01
      4  -0.627570D+02 -0.315701D+02  0.109276D+02 -0.194102D+02 -0.119985D+02
      5   0.630449D+02  0.149875D+02 -0.262971D+02  0.279238D+02  0.192040D+01
      6   0.214327D+02  0.315071D+01 -0.542446D+01  0.140788D+00  0.697321D+01
                51            52            53            54            55 
      1   0.115129D+02  0.371511D+02  0.121360D+02 -0.151350D+02  0.185815D+03
      2  -0.959651D+01 -0.136248D+02 -0.156376D+00  0.114089D+02 -0.948094D+02
      3  -0.191638D+01 -0.235263D+02 -0.119796D+02  0.372610D+01 -0.910052D+02
      4   0.270032D+00  0.219387D+02 -0.101334D+01  0.396088D+01  0.557959D+02
      5   0.255298D+01 -0.172920D+02  0.510211D+01 -0.893115D+01 -0.607489D+02
      6   0.101597D+01  0.423238D+01 -0.212228D+01  0.506037D+01 -0.116227D+02
                56            57            58            59            60 
      1   0.366441D+02 -0.327076D+02  0.725947D+02  0.315180D+02 -0.590166D+01
      2  -0.135912D+02  0.208754D+02 -0.310670D+02 -0.473506D+01  0.160078D+01
      3  -0.230529D+02  0.118323D+02 -0.415276D+02 -0.267829D+02  0.430088D+01
      4   0.384588D+02 -0.110817D+02  0.610513D+02  0.425718D+02 -0.157272D+02
      5  -0.132237D+02  0.375626D+02 -0.215675D+02 -0.176172D+02  0.121498D+02
      6  -0.546983D+01  0.512526D+01 -0.111476D+02 -0.866213D+01  0.903071D+01
                61            62            63            64            65 
      1  -0.814148D+02 -0.123204D+02  0.258447D+02 -0.201979D+01  0.317133D+02
      2   0.477792D+02  0.522483D+01 -0.230482D+02 -0.132283D+02 -0.261486D+02
      3   0.336356D+02  0.709561D+01 -0.279645D+01  0.152481D+02 -0.556468D+01
      4  -0.242858D+02 -0.141288D+02  0.138894D+02  0.311376D+02 -0.123295D+02
      5   0.595755D+02  0.158904D+02 -0.378026D+02  0.141995D+02 -0.505244D+01
      6   0.115486D+02  0.952488D+01 -0.584487D+01 -0.141423D+02  0.263473D+01
                66            67            68            69            70 
      1   0.163047D+02  0.275625D+02  0.706619D+01  0.867559D+00  0.149712D+02
      2  -0.663398D+01 -0.227338D+02  0.226514D+01 -0.801320D+01 -0.124612D+01
      3  -0.967071D+01 -0.482867D+01 -0.933132D+01  0.714564D+01 -0.137250D+02
      4  -0.139336D+02 -0.648824D+01 -0.146925D+02  0.103983D+02 -0.186488D+02
      5  -0.105187D+02 -0.508568D+01  0.103415D+02  0.555522D+01 -0.133064D+02
      6   0.797616D+01  0.393445D+01 -0.105594D+02 -0.434812D+01  0.117558D+02
                71            72            73            74            75 
      1  -0.139724D+01 -0.721115D+01 -0.597124D+01 -0.921161D+01 -0.267789D+01
      2  -0.986766D+01  0.609323D+01  0.403512D+01  0.364532D+01  0.775325D+01
      3   0.112649D+02  0.111792D+01  0.193612D+01  0.556629D+01 -0.507536D+01
      4   0.121965D+02  0.165420D+02 -0.863623D+01  0.568518D+01  0.163322D+02
      5   0.106406D+02 -0.284240D+02  0.586344D+01  0.166499D+02 -0.204346D+02
      6  -0.556044D+01  0.196710D+02  0.318511D+01  0.854286D+01  0.723567D+00
                76            77            78            79            80 
      1  -0.112528D+02  0.208163D+02  0.273019D+02  0.220292D+01  0.278737D+02
      2   0.569056D+01 -0.880017D+01 -0.151636D+02  0.855473D+01 -0.160674D+02
      3   0.556228D+01 -0.120161D+02 -0.121383D+02 -0.107576D+02 -0.118063D+02
      4   0.140704D+02  0.147131D+02  0.118309D+02  0.291593D+02  0.159199D+02
      5   0.273877D+02  0.816011D+01  0.596571D+01 -0.283174D+02  0.419611D+01
      6   0.813241D+01  0.172556D+01 -0.835916D+00 -0.140064D+01 -0.343763D+00
                81            82            83            84            85 
      1  -0.218754D+02 -0.361923D+02  0.313370D+01  0.950115D+01  0.382355D+01
      2   0.153672D+02  0.334968D+02  0.876811D+01 -0.814670D+01  0.894373D+01
      3   0.650812D+01  0.269550D+01 -0.119018D+02 -0.135445D+01 -0.127673D+02
      4   0.402487D+00  0.170048D+02  0.167207D+02  0.104038D+01  0.219584D+02
      5  -0.108597D+02  0.122344D+02  0.324854D+01  0.247459D+01  0.316002D+01
      6   0.460498D+01  0.178287D+02 -0.293241D+00  0.108467D+00  0.211819D+01
                86            87            88            89            90 
      1   0.701905D+01 -0.436561D+01  0.228725D+02 -0.311250D+00  0.203673D+02
      2  -0.759465D+00  0.123229D+02 -0.190533D+02  0.111679D+02 -0.167946D+02
      3  -0.625959D+01 -0.795732D+01 -0.381919D+01 -0.108567D+02 -0.357275D+01
      4   0.368489D+01 -0.424075D+01 -0.129685D+01 -0.801614D+01 -0.131918D+02
      5   0.301543D+01 -0.110648D+02 -0.586046D+00 -0.158787D+02 -0.605506D+01
      6   0.658244D+00 -0.154338D+02 -0.531840D+01 -0.247403D+02 -0.161608D+02
                91            92            93            94            95 
      1  -0.577397D+02  0.352179D+00 -0.316552D+02 -0.996697D+01  0.215717D+02
      2   0.352984D+02 -0.584462D+01  0.771887D+01  0.304506D+01 -0.224943D+02
      3   0.224413D+02  0.549244D+01  0.239364D+02  0.692190D+01  0.922587D+00
      4   0.121255D+01  0.151893D+02 -0.324682D+00  0.109402D+02  0.246159D+02
      5  -0.287533D+02 -0.232353D+01  0.106618D+02 -0.684710D+01  0.259586D+01
      6  -0.413447D+00  0.502751D+01 -0.288131D+00  0.385420D+01  0.719312D+01
                96            97            98            99           100 
      1   0.303987D+01 -0.179367D+02  0.477685D+01  0.175455D+02  0.374345D+02
      2   0.818819D+01  0.308868D+01  0.271807D+00 -0.383857D+01 -0.242971D+02
      3  -0.112281D+02  0.148480D+02 -0.504866D+01 -0.137069D+02 -0.131373D+02
      4   0.210859D+00 -0.363450D+01  0.554461D+01 -0.137815D+02  0.188461D+01
      5  -0.132922D+02  0.138583D+02 -0.116098D+02  0.463968D+01  0.252381D+02
      6   0.227817D+01 -0.237765D+01  0.594203D+01 -0.938329D+01 -0.245136D-01
               101           102           103           104           105 
      1  -0.146558D+01  0.165828D+02 -0.107239D+02  0.310123D+01 -0.773069D+01
      2   0.166239D+01 -0.130011D+02  0.748640D+01 -0.267925D+01  0.615626D+01
      3  -0.196815D+00 -0.358167D+01  0.323748D+01 -0.421980D+00  0.157442D+01
      4   0.628830D+01 -0.175235D+01  0.731276D+01 -0.660912D+01  0.464945D+01
      5  -0.376855D+01  0.218241D+02 -0.108362D+02  0.627714D+01 -0.883958D+01
      6   0.105008D+01  0.129652D+01  0.202804D+01 -0.172764D+01  0.326050D+01
               106           107           108           109           110 
      1   0.271411D+02 -0.489148D+01  0.170637D+02  0.509388D+02  0.147197D+02
      2  -0.222753D+02  0.463341D+01 -0.203886D+02 -0.235303D+02 -0.439018D+01
      3  -0.486585D+01  0.258067D+00  0.332487D+01 -0.274086D+02 -0.103295D+02
      4  -0.203458D+01  0.756388D+01 -0.121175D+00  0.270124D+02  0.156645D+02
      5   0.331656D+02 -0.283205D+01  0.351906D+02 -0.168738D+02 -0.737229D+01
      6   0.129737D+01  0.385530D+01  0.183597D+01 -0.632636D+01 -0.324392D+01
               111           112           113           114           115 
      1  -0.136311D+02  0.167397D+02  0.673891D+01 -0.696014D+01 -0.294283D+02
      2   0.599039D+01 -0.452251D+01  0.201132D+01  0.242211D+01  0.135993D+02
      3   0.764072D+01 -0.122172D+02 -0.875023D+01  0.453803D+01  0.158290D+02
      4  -0.987112D+01  0.197300D+02  0.162840D+02 -0.899761D+01 -0.196675D+02
      5   0.160040D+02 -0.906221D+01 -0.749214D+01  0.589486D+01  0.240972D+02
      6   0.388776D+01 -0.462861D+01 -0.317217D+01  0.451188D+01  0.734536D+01
               116           117           118           119           120 
      1  -0.105829D+02  0.150765D+02  0.978874D+00 -0.721209D+00  0.188173D+01
      2   0.334056D+01 -0.100954D+02 -0.331038D+01  0.353875D+00 -0.284895D+00
      3   0.724229D+01 -0.498112D+01  0.233151D+01  0.367334D+00 -0.159684D+01
      4  -0.154356D+02  0.103085D+02 -0.172973D+01  0.261830D+01 -0.149821D+00
      5   0.751833D+01 -0.188933D+02  0.136229D+01 -0.920154D+00  0.564400D+01
      6   0.514612D+01 -0.706103D+01 -0.155477D+01  0.712186D-01  0.287758D+00
               121           122           123           124           125 
      1   0.134944D+01 -0.651180D+01  0.709072D+01  0.990706D-02  0.453757D+01
      2  -0.130522D+00  0.165866D+01  0.738349D+00 -0.734228D+00  0.256573D+01
      3  -0.121892D+01  0.485314D+01 -0.782907D+01  0.724321D+00 -0.710330D+01
      4   0.291758D+01 -0.276101D+01  0.253215D+01 -0.256777D+00  0.467776D+01
      5  -0.150697D+01  0.208259D+01 -0.434449D+01  0.539168D+01 -0.284994D+01
      6   0.406872D+00 -0.511327D+01  0.701828D+01 -0.370799D+00  0.600861D+01
               126           127           128           129           130 
      1  -0.187807D+02 -0.112181D+01  0.736971D+01 -0.327903D+01  0.557659D+01
      2  -0.990464D+01  0.289851D+01 -0.104143D+02  0.355688D+01 -0.561073D+01
      3   0.286853D+02 -0.177669D+01  0.304458D+01 -0.277857D+00  0.341444D-01
      4  -0.385702D+01 -0.209552D+01  0.112094D+01 -0.189009D+01  0.374253D+01
      5   0.103866D+02 -0.165296D+01  0.389745D+00 -0.545640D+00  0.579147D+00
      6  -0.588326D+01 -0.431783D+01  0.116088D+01 -0.237580D+01  0.413128D+00
               131           132           133           134           135 
      1  -0.223393D+02  0.616145D+01 -0.663887D+01  0.130029D+02 -0.109301D+02
      2   0.341920D+02 -0.109792D+02  0.437912D+01 -0.212632D+02  0.119994D+02
      3  -0.118526D+02  0.481778D+01  0.225975D+01  0.826036D+01 -0.106933D+01
      4   0.115319D+02 -0.319918D+01 -0.430943D+01 -0.725911D+01  0.433432D+01
      5  -0.517318D+01  0.528553D+01 -0.244499D+00  0.660425D+01 -0.604755D+01
      6  -0.631575D+01  0.953323D+01 -0.473590D+00  0.109519D+02 -0.822480D+01
               136           137           138           139           140 
      1   0.477637D+01  0.415382D+01  0.308744D+01  0.305385D+01 -0.192481D+02
      2  -0.477459D+01 -0.312598D+01 -0.108553D+01 -0.207974D+01  0.182465D+02
      3  -0.178557D-02 -0.102784D+01 -0.200191D+01 -0.974116D+00  0.100152D+01
      4   0.434345D+01  0.472358D+01  0.461363D+01  0.631581D+01  0.146230D+02
      5   0.298967D+01  0.343232D+01  0.549275D+01  0.335933D+01  0.100576D+02
      6   0.329710D+01  0.107673D+00  0.140726D+00  0.301626D+01  0.215128D+02
               141           142           143           144           145 
      1  -0.126238D+02 -0.111348D+01 -0.213472D+02 -0.264506D+02 -0.252234D+01
      2   0.798374D+01  0.135102D+01  0.123340D+02  0.560829D+01 -0.315763D+00
      3   0.464006D+01 -0.237544D+00  0.901314D+01  0.208423D+02  0.283810D+01
      4   0.993042D+01  0.949996D+01  0.154963D+02  0.146042D+02  0.104298D+01
      5   0.102571D+02  0.981803D+01  0.167207D+02  0.212895D+02 -0.173876D+01
      6   0.205567D+02  0.677840D+01  0.298268D+02  0.336691D+02 -0.186732D+01
               146           147           148           149           150 
      1   0.260451D+01 -0.523343D+01  0.379581D+01 -0.129344D+02  0.993937D+01
      2  -0.331057D+00  0.124803D+01 -0.168486D+01  0.520853D+01  0.353904D+01
      3  -0.227345D+01  0.398540D+01 -0.211095D+01  0.772587D+01 -0.134784D+02
      4  -0.930511D-01  0.720997D+00  0.423145D+00  0.178208D+02 -0.768950D+01
      5  -0.921867D+00  0.338961D+01 -0.369011D+01 -0.505894D+01  0.835584D+01
      6   0.407837D+01 -0.207038D+01  0.282178D+01 -0.216377D+02  0.128188D+02
               151           152           153           154           155 
      1  -0.281495D+01  0.636590D+01 -0.629593D+01  0.237190D+02 -0.399587D+01
      2   0.123785D+01  0.119356D+01 -0.225203D+01 -0.222042D+02  0.302915D+01
      3   0.157710D+01 -0.755946D+01  0.854796D+01 -0.151477D+01  0.966729D+00
      4   0.403712D+00 -0.477099D+01  0.449255D+01 -0.119745D+02  0.943744D+01
      5   0.399453D+01  0.317709D+01 -0.317439D+01 -0.382779D+02  0.908751D+01
      6  -0.150719D+01  0.104437D+02 -0.735103D+01  0.821283D+01 -0.653654D+01
               156           157           158           159           160 
      1  -0.781823D+01 -0.472649D+01  0.199262D+00 -0.680158D+00 -0.687508D+01
      2   0.180403D+02  0.378979D+01 -0.161431D+01 -0.345873D+01  0.140872D+02
      3  -0.102221D+02  0.936701D+00  0.141505D+01  0.413889D+01 -0.721216D+01
      4   0.731839D+01  0.838648D+01 -0.549409D+01 -0.732408D+01  0.533534D+01
      5   0.336984D+02  0.100482D+02 -0.819081D+01 -0.948137D+01  0.254401D+02
      6  -0.654239D+01 -0.549395D+01  0.435352D+01  0.817856D+01 -0.485160D+01
               161           162           163           164           165 
      1  -0.331665D+00  0.149831D+01 -0.105137D+02 -0.983103D+01 -0.142371D+02
      2  -0.212876D+01 -0.151048D+02  0.236455D+01  0.512779D+01  0.430594D+00
      3   0.246042D+01  0.136065D+02  0.814912D+01  0.470324D+01  0.138065D+02
      4  -0.473396D+01 -0.627863D+01  0.527767D+00 -0.146485D+01 -0.249667D+00
      5  -0.632690D+01 -0.264367D+02  0.775032D+01  0.431749D+01  0.312663D+01
      6   0.621877D+01  0.668045D+01  0.787137D+01  0.966457D+01  0.699938D+01
               166           167           168           169           170 
      1  -0.902212D+01 -0.131102D+02 -0.982422D+01 -0.783874D+01 -0.550030D+01
      2   0.493343D+01  0.777258D+01  0.159803D+00  0.767881D+00 -0.163982D+00
      3   0.408869D+01  0.533762D+01  0.966441D+01  0.707086D+01  0.566429D+01
      4   0.196364D+00 -0.182310D+01 -0.295926D+01  0.115420D+00 -0.163161D+01
      5   0.628837D+01  0.121725D+01 -0.197163D+01  0.584682D+01  0.572690D-01
      6   0.665174D+01  0.101209D+02  0.102199D+02  0.391419D+01  0.704589D+01
               171           172           173           174           175 
      1  -0.878706D+01  0.479355D+01 -0.448818D+01  0.354890D+01 -0.103649D+01
      2  -0.168245D+01 -0.186727D+01  0.226452D+01 -0.281840D+01  0.318426D+00
      3   0.104695D+02 -0.292629D+01  0.222366D+01 -0.730500D+00  0.718063D+00
      4  -0.144466D+01 -0.811910D+01  0.562716D+01 -0.398312D+01  0.359405D+01
      5   0.659668D+00  0.639168D+01 -0.229868D+01  0.103683D+02 -0.102207D+01
      6   0.634074D+01 -0.304481D+01  0.171803D+01 -0.496616D+01  0.189676D+01
               176           177           178           179           180 
      1  -0.328002D+01  0.293125D+01  0.503371D+01  0.470081D+01 -0.534097D+01
      2   0.271085D+01 -0.385477D+01 -0.380382D+01 -0.654753D+01 -0.733127D+01
      3   0.569172D+00  0.923519D+00 -0.122989D+01  0.184671D+01  0.126722D+02
      4  -0.213482D+01  0.534674D+01 -0.906089D+01  0.125001D+02 -0.139223D+02
      5   0.492944D+01 -0.361170D+01  0.153604D+02 -0.109326D+02  0.374971D+02
      6  -0.449244D+01  0.801919D+01 -0.878597D+01  0.129939D+02 -0.291755D+02
               181           182           183           184           185 
      1  -0.139705D+02 -0.237775D+02 -0.530524D+01 -0.144600D+02 -0.258373D+02
      2   0.145825D+02  0.283871D+02  0.402778D+01  0.146822D+02  0.346936D+02
      3  -0.612020D+00 -0.460960D+01  0.127746D+01 -0.222189D+00 -0.885633D+01
      4   0.532116D+01 -0.161101D+01  0.249465D+01  0.508858D+01 -0.666118D+01
      5  -0.299283D+01 -0.666953D+00 -0.135742D+01 -0.738076D+00 -0.300340D+01
      6   0.318596D+01  0.145478D+01  0.527891D+01  0.890801D+00  0.333894D+01
               186           187           188           189           190 
      1  -0.403706D+01 -0.556423D+01 -0.556480D+01 -0.540152D+01  0.421520D+02
      2   0.537061D+01  0.295642D+01  0.827945D+01  0.451263D+01 -0.108805D+02
      3  -0.133355D+01  0.260781D+01 -0.271465D+01  0.888888D+00 -0.312715D+02
      4  -0.142910D+01  0.374319D+01 -0.417694D+01 -0.195690D+01 -0.452614D+02
      5  -0.304885D+01  0.118485D+01 -0.319645D+01  0.840389D+00 -0.141644D+02
      6   0.611970D+01  0.179840D+01  0.690122D+01  0.175141D+01  0.890119D+01
               191           192           193           194           195 
      1  -0.148490D+02 -0.114186D+02 -0.114041D+02  0.398722D+01  0.122504D+01
      2  -0.218972D+01  0.409933D+01 -0.991059D+00  0.726037D+01  0.308429D+01
      3   0.170387D+02  0.731929D+01  0.123951D+02 -0.112476D+02 -0.430933D+01
      4   0.302710D+02  0.122540D+02  0.217182D+02 -0.185141D+02 -0.796527D+01
      5   0.575204D+01  0.132608D+02  0.503404D+01 -0.563236D+01 -0.428754D+01
      6  -0.491990D+01 -0.883045D+01 -0.371993D+01  0.521701D+01  0.491477D+01
               196           197           198           199           200 
      1  -0.154708D+02  0.286414D+01  0.675994D+01 -0.931742D-01 -0.197036D+01
      2   0.390017D+01  0.542180D+01 -0.311143D+01  0.926792D+00  0.164482D+01
      3   0.115707D+02 -0.828594D+01 -0.364851D+01 -0.833617D+00  0.325534D+00
      4   0.202524D+02 -0.166408D+02 -0.126393D+02 -0.194507D+01  0.177834D+01
      5   0.143129D+02 -0.796413D+01 -0.979658D+01  0.332851D+01 -0.131223D+01
      6  -0.980922D+01  0.715653D+01  0.646363D+01 -0.597182D-01  0.364303D+00
               201           202           203           204           205 
      1   0.221970D+01 -0.209145D+01 -0.278550D+01  0.583477D+01  0.361150D+01
      2  -0.147702D+01 -0.164942D+01  0.325382D+01 -0.326383D+01 -0.309836D+01
      3  -0.742679D+00  0.374086D+01 -0.468315D+00 -0.257094D+01 -0.513132D+00
      4  -0.205138D+01  0.168740D+01 -0.187714D+01  0.316073D+01 -0.226610D+01
      5   0.417896D+01 -0.942911D+00  0.139963D+01 -0.260151D+01  0.395511D+01
      6  -0.339744D+00  0.104840D+00 -0.450249D+01  0.390868D+01 -0.693026D+00
               206           207           208           209           210 
      1   0.634012D+01 -0.675465D+01 -0.500515D+00  0.195692D+01 -0.316313D+01
      2  -0.530770D+01  0.126165D+01 -0.107535D+01 -0.961927D+00  0.719792D+00
      3  -0.103242D+01  0.549299D+01  0.157587D+01 -0.994994D+00  0.244334D+01
      4   0.379381D+01 -0.450272D+01  0.184200D+01  0.232785D+01 -0.211588D+01
      5  -0.373360D+01  0.543316D+01 -0.270273D+01 -0.237269D+01  0.477371D+01
      6   0.430102D+01 -0.656097D+01 -0.255357D+01  0.184268D+00  0.188069D+00
               211           212           213           214           215 
      1   0.293548D+01 -0.906742D+01  0.993930D+01 -0.316286D+01  0.954115D+01
      2  -0.383357D+01  0.382489D+01 -0.614510D+00  0.166471D+01 -0.245694D+01
      3   0.898081D+00  0.524254D+01 -0.932479D+01  0.149815D+01 -0.708421D+01
      4   0.350938D+00  0.534662D+01 -0.534901D+01 -0.289630D+01 -0.557855D+01
      5  -0.385069D+01 -0.645908D+01  0.981644D+01  0.341939D+01  0.781201D+01
      6  -0.709658D-01 -0.776133D+01  0.809614D+01  0.171203D+01  0.898544D+01
               216           217           218           219           220 
      1  -0.208428D+02  0.325032D+01 -0.882580D+01  0.437009D+01 -0.109501D+02
      2  -0.313112D+01  0.452104D+00  0.749333D+01 -0.775759D+00  0.498959D+01
      3   0.239740D+02 -0.370243D+01  0.133246D+01 -0.359433D+01  0.596055D+01
      4   0.670653D+01 -0.294935D+01 -0.333861D+01  0.149402D+01  0.769645D+01
      5  -0.181000D+02  0.411191D+00 -0.978979D-01 -0.382971D+01 -0.656444D+01
      6  -0.111788D+02 -0.127453D+01 -0.292182D+01  0.165553D+01  0.167736D+01
               221           222           223           224           225 
      1  -0.207374D+02  0.159404D+01  0.266168D+01  0.799109D+00 -0.595315D+01
      2   0.328006D+02 -0.667851D+00 -0.125067D+01  0.229489D+01  0.283026D+01
      3  -0.120632D+02 -0.926188D+00 -0.141101D+01 -0.309400D+01  0.312289D+01
      4  -0.457437D+02  0.632031D+01  0.206176D+01 -0.265953D+01 -0.315350D+01
      5   0.395874D+01 -0.972320D+01 -0.124596D+00 -0.331796D+01  0.101021D+01
      6  -0.158637D+02  0.740667D+01  0.121322D+00  0.471437D+01 -0.635520D+00
               226           227           228           229           230 
      1  -0.505889D+01  0.381623D+01  0.164822D+02  0.541937D+01 -0.905293D+01
      2  -0.150298D+01 -0.694431D-01  0.967528D+00 -0.228580D+01  0.348593D+01
      3   0.656188D+01 -0.374679D+01 -0.174497D+02 -0.313357D+01  0.556700D+01
      4   0.413216D+01 -0.544529D+01 -0.757104D+00 -0.157165D+01  0.176802D+01
      5   0.567010D+00  0.925155D+00 -0.984309D+01  0.259313D+01  0.448589D+01
      6   0.155096D+01 -0.353533D+01 -0.425428D+00 -0.151305D+01  0.311215D+01
               231           232           233           234           235 
      1  -0.680246D+01  0.169681D+02 -0.501581D+01 -0.244922D+02  0.839703D+02
      2  -0.379922D+01 -0.555435D+01 -0.158788D+01 -0.968520D+01 -0.467705D+02
      3   0.106017D+02 -0.114137D+02  0.660368D+01  0.341774D+02 -0.371997D+02
      4   0.605946D+01 -0.358377D+01  0.698327D+01  0.585342D+01 -0.132563D+02
      5   0.106231D+02  0.217745D+01  0.399478D+01  0.266193D+02  0.419433D+02
      6   0.624703D+01 -0.116793D+01  0.525064D+01  0.216886D+01 -0.130442D+01
               236           237           238           239           240 
      1  -0.336740D+01  0.213726D+02  0.446475D+01  0.623417D+01  0.894797D+00
      2   0.522614D+00 -0.156072D+02 -0.321618D+01 -0.176439D+01 -0.172932D+01
      3   0.284479D+01 -0.576539D+01 -0.124857D+01 -0.446978D+01  0.834520D+00
      4   0.126710D+02 -0.358849D+01  0.990612D+01 -0.252785D+01  0.328499D+01
      5  -0.184116D+01  0.239850D+02  0.265313D+01  0.431782D+01  0.309934D+01
      6   0.381420D+01 -0.175997D+01  0.342119D+01 -0.501366D+00  0.197162D+01
               241           242           243 
      1   0.128323D+02 -0.711961D+00  0.934483D+01
      2  -0.104559D+02 -0.184813D+00 -0.926878D+01
      3  -0.237636D+01  0.896774D+00 -0.760510D-01
      4  -0.180142D+01  0.195543D+01 -0.385594D+00
      5   0.176520D+02  0.353790D+00  0.126816D+02
      6  -0.187845D+01  0.164937D+01 -0.354913D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Sep 26 20:21:05 2021, MaxMem=  6442450944 cpu:           14875.5 elap:            1864.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.24842 -10.38879 -10.32474 -10.32067 -10.31260
 Alpha  occ. eigenvalues --  -10.30627 -10.30566 -10.30103 -10.29934 -10.29591
 Alpha  occ. eigenvalues --  -10.29140  -1.12977  -0.97144  -0.90037  -0.84809
 Alpha  occ. eigenvalues --   -0.83136  -0.78916  -0.77481  -0.70967  -0.69217
 Alpha  occ. eigenvalues --   -0.63700  -0.61022  -0.57709  -0.57339  -0.55767
 Alpha  occ. eigenvalues --   -0.54160  -0.53257  -0.52645  -0.51069  -0.49618
 Alpha  occ. eigenvalues --   -0.48343  -0.47835  -0.46863  -0.45437  -0.45215
 Alpha  occ. eigenvalues --   -0.44607  -0.43827  -0.40718  -0.39842  -0.38839
 Alpha  occ. eigenvalues --   -0.34523  -0.33518
 Alpha virt. eigenvalues --    0.00818   0.07596   0.09108   0.10071   0.10509
 Alpha virt. eigenvalues --    0.11888   0.12267   0.12897   0.13196   0.14434
 Alpha virt. eigenvalues --    0.15171   0.15389   0.15497   0.16405   0.17389
 Alpha virt. eigenvalues --    0.17807   0.18401   0.18977   0.19065   0.19627
 Alpha virt. eigenvalues --    0.20511   0.20697   0.22173   0.22446   0.23120
 Alpha virt. eigenvalues --    0.23195   0.23680   0.24392   0.25044   0.25623
 Alpha virt. eigenvalues --    0.26313   0.27510   0.27752   0.28166   0.28584
 Alpha virt. eigenvalues --    0.29283   0.29875   0.30889   0.31640   0.32465
 Alpha virt. eigenvalues --    0.32933   0.33989   0.34302   0.34669   0.35136
 Alpha virt. eigenvalues --    0.35737   0.36477   0.37130   0.37558   0.37978
 Alpha virt. eigenvalues --    0.38177   0.39052   0.39253   0.39742   0.40381
 Alpha virt. eigenvalues --    0.40694   0.40830   0.41435   0.41702   0.41895
 Alpha virt. eigenvalues --    0.42630   0.42876   0.43100   0.43372   0.43827
 Alpha virt. eigenvalues --    0.44189   0.44696   0.45458   0.45805   0.45995
 Alpha virt. eigenvalues --    0.46373   0.46941   0.47454   0.48224   0.48616
 Alpha virt. eigenvalues --    0.48831   0.49336   0.49920   0.49996   0.50154
 Alpha virt. eigenvalues --    0.50802   0.51135   0.52033   0.52696   0.53312
 Alpha virt. eigenvalues --    0.53612   0.54038   0.54527   0.54977   0.55536
 Alpha virt. eigenvalues --    0.55867   0.56291   0.56633   0.57249   0.57406
 Alpha virt. eigenvalues --    0.58054   0.58496   0.59370   0.59622   0.59743
 Alpha virt. eigenvalues --    0.60564   0.61338   0.61480   0.62375   0.62600
 Alpha virt. eigenvalues --    0.63048   0.63541   0.64245   0.64878   0.65503
 Alpha virt. eigenvalues --    0.65755   0.66402   0.66945   0.67596   0.68514
 Alpha virt. eigenvalues --    0.68905   0.69456   0.70034   0.71001   0.71333
 Alpha virt. eigenvalues --    0.72805   0.72961   0.73420   0.73787   0.74687
 Alpha virt. eigenvalues --    0.75268   0.76084   0.76458   0.76903   0.78092
 Alpha virt. eigenvalues --    0.79058   0.79458   0.80939   0.81656   0.82220
 Alpha virt. eigenvalues --    0.83013   0.85114   0.85600   0.85775   0.86712
 Alpha virt. eigenvalues --    0.87150   0.88157   0.88716   0.91743   0.92564
 Alpha virt. eigenvalues --    0.94911   0.97887   0.98997   1.00827   1.02577
 Alpha virt. eigenvalues --    1.03403   1.04048   1.05113   1.05750   1.06189
 Alpha virt. eigenvalues --    1.07145   1.07857   1.08562   1.08795   1.09822
 Alpha virt. eigenvalues --    1.10507   1.11146   1.11417   1.12468   1.12869
 Alpha virt. eigenvalues --    1.13348   1.15349   1.16040   1.17140   1.19887
 Alpha virt. eigenvalues --    1.20751   1.22312   1.25514   1.26023   1.26201
 Alpha virt. eigenvalues --    1.28114   1.29214   1.30404   1.31902   1.33056
 Alpha virt. eigenvalues --    1.34142   1.36893   1.37183   1.38048   1.38947
 Alpha virt. eigenvalues --    1.39581   1.40784   1.44074   1.45310   1.46106
 Alpha virt. eigenvalues --    1.47206   1.49101   1.49923   1.50377   1.55562
 Alpha virt. eigenvalues --    1.56730   1.60062   1.60591   1.62269   1.63894
 Alpha virt. eigenvalues --    1.64825   1.65971   1.66961   1.67437   1.68858
 Alpha virt. eigenvalues --    1.70876   1.71704   1.73597   1.74183   1.76731
 Alpha virt. eigenvalues --    1.78410   1.81218   1.81838   1.83333   1.84728
 Alpha virt. eigenvalues --    1.86589   1.87046   1.87889   1.89550   1.91623
 Alpha virt. eigenvalues --    1.93517   1.93585   1.94735   1.95812   1.96531
 Alpha virt. eigenvalues --    1.97266   1.99368   2.01578   2.02210   2.05109
 Alpha virt. eigenvalues --    2.05907   2.06873   2.07805   2.09280   2.09539
 Alpha virt. eigenvalues --    2.10128   2.12297   2.13996   2.14255   2.14925
 Alpha virt. eigenvalues --    2.16702   2.17671   2.20048   2.22050   2.23298
 Alpha virt. eigenvalues --    2.24864   2.25729   2.28598   2.29011   2.30055
 Alpha virt. eigenvalues --    2.31529   2.32094   2.32952   2.34885   2.36024
 Alpha virt. eigenvalues --    2.36961   2.38884   2.39647   2.40967   2.43754
 Alpha virt. eigenvalues --    2.46960   2.47679   2.48874   2.50352   2.52125
 Alpha virt. eigenvalues --    2.55000   2.56434   2.57376   2.60175   2.62606
 Alpha virt. eigenvalues --    2.64235   2.64694   2.65846   2.67447   2.69273
 Alpha virt. eigenvalues --    2.71471   2.73596   2.76078   2.78012   2.79548
 Alpha virt. eigenvalues --    2.80898   2.82403   2.83757   2.86655   2.90407
 Alpha virt. eigenvalues --    2.95332   2.99318   3.00138   3.01232   3.03557
 Alpha virt. eigenvalues --    3.06422   3.09495   3.11151   3.13248   3.14991
 Alpha virt. eigenvalues --    3.16415   3.20013   3.21487   3.22856   3.23811
 Alpha virt. eigenvalues --    3.24807   3.28663   3.29358   3.29687   3.32747
 Alpha virt. eigenvalues --    3.36279   3.49547   3.57234   3.93354
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.924667  -0.488942   0.099079  -0.115338  -0.019874   0.001181
     2  C   -0.488942  11.481874  -0.752449   0.191064   0.043347  -0.001577
     3  C    0.099079  -0.752449   7.595595  -0.608966  -0.442120   0.133896
     4  C   -0.115338   0.191064  -0.608966   7.931684   0.098067  -0.036276
     5  C   -0.019874   0.043347  -0.442120   0.098067   9.174704  -0.743096
     6  C    0.001181  -0.001577   0.133896  -0.036276  -0.743096   5.784363
     7  O   -0.000021   0.000711   0.002861   0.083725  -0.148442   0.347248
     8  C   -0.135385  -0.724653   0.007352   0.014418   0.020784   0.000342
     9  C    0.013123  -0.400790   0.109227  -0.003697  -0.013488  -0.000161
    10  C   -0.047065   0.215488   0.063380  -0.073758   0.075447  -0.001913
    11  C   -0.000541  -0.000299   0.009186  -0.064800   0.022895   0.529917
    12  H    0.060428  -0.060956   0.134057  -0.007834  -0.001515   0.000051
    13  H   -0.091192  -0.074086   0.011946  -0.011602   0.000374   0.000002
    14  H    0.079542  -0.195184  -0.486686  -0.471993  -0.380727   0.025764
    15  H    0.012139   0.062430   0.012746  -0.082670   0.005736   0.001374
    16  H   -0.008335   0.013769   0.036800   0.023416   0.003868   0.000005
    17  H    0.253515   0.277507  -0.065787   0.010596  -0.009889  -0.000331
    18  H    0.001254   0.182079  -0.002722  -0.006523   0.002637   0.000149
    19  H   -0.040629   0.185589  -0.008065   0.035648   0.004493   0.000683
    20  H    0.001078  -0.040474  -0.047620   0.000894   0.006877   0.000076
    21  H    0.010226   0.204838   0.024795  -0.001055  -0.004809   0.000851
    22  H    0.025132   0.202099   0.022603  -0.000246  -0.000788  -0.000022
    23  H    0.016123  -0.124587  -0.356073  -0.460818  -1.047363   0.022927
    24  H    0.000891  -0.009642  -0.045467  -0.264798   0.130306  -0.155184
    25  H   -0.000251  -0.000007   0.003686  -0.007507  -0.046432   0.074315
    26  H    0.001238  -0.000614   0.006421   0.000185  -0.046868   0.066249
    27  H    0.000010  -0.000050  -0.000921   0.019838   0.032494   0.125556
               7          8          9         10         11         12
     1  C   -0.000021  -0.135385   0.013123  -0.047065  -0.000541   0.060428
     2  C    0.000711  -0.724653  -0.400790   0.215488  -0.000299  -0.060956
     3  C    0.002861   0.007352   0.109227   0.063380   0.009186   0.134057
     4  C    0.083725   0.014418  -0.003697  -0.073758  -0.064800  -0.007834
     5  C   -0.148442   0.020784  -0.013488   0.075447   0.022895  -0.001515
     6  C    0.347248   0.000342  -0.000161  -0.001913   0.529917   0.000051
     7  O    8.173408  -0.000124  -0.000026  -0.000563  -0.027934   0.000001
     8  C   -0.000124   5.471386  -0.085210   0.061190   0.000037  -0.064591
     9  C   -0.000026  -0.085210   5.060614   0.013110   0.000147   0.172017
    10  C   -0.000563   0.061190   0.013110   4.986151   0.000450  -0.114950
    11  C   -0.027934   0.000037   0.000147   0.000450   4.347499  -0.000002
    12  H    0.000001  -0.064591   0.172017  -0.114950  -0.000002   1.114594
    13  H   -0.000000   0.083492   0.213862   0.086236   0.000007  -0.346116
    14  H    0.005286  -0.220235   0.105415  -0.401839  -0.001610   0.056310
    15  H   -0.000147  -0.005083  -0.017613   0.188077  -0.000359   0.069343
    16  H   -0.000082  -0.000106  -0.006984   0.381984  -0.000006  -0.125724
    17  H    0.000040  -0.006348  -0.029931  -0.021285   0.000137   0.001129
    18  H   -0.000020   0.031194  -0.000759   0.011223   0.000014  -0.003256
    19  H   -0.000244  -0.004280   0.006741   0.000658  -0.000079  -0.000907
    20  H   -0.000038   0.501236  -0.032589   0.024824  -0.000017  -0.004389
    21  H   -0.000025  -0.006065   0.001952  -0.009693   0.000009  -0.000460
    22  H    0.000003  -0.032842   0.042530  -0.013312   0.000005  -0.004657
    23  H    0.019720  -0.020990  -0.001574  -0.071146  -0.061456   0.001014
    24  H   -0.041429  -0.000326  -0.000619  -0.000369  -0.004292  -0.000003
    25  H    0.003599   0.000015   0.000025   0.000132   0.236399   0.000000
    26  H    0.006124  -0.000032   0.000064  -0.000060   0.237652   0.000002
    27  H   -0.019078  -0.000001   0.000005  -0.000033   0.339726  -0.000000
              13         14         15         16         17         18
     1  C   -0.091192   0.079542   0.012139  -0.008335   0.253515   0.001254
     2  C   -0.074086  -0.195184   0.062430   0.013769   0.277507   0.182079
     3  C    0.011946  -0.486686   0.012746   0.036800  -0.065787  -0.002722
     4  C   -0.011602  -0.471993  -0.082670   0.023416   0.010596  -0.006523
     5  C    0.000374  -0.380727   0.005736   0.003868  -0.009889   0.002637
     6  C    0.000002   0.025764   0.001374   0.000005  -0.000331   0.000149
     7  O   -0.000000   0.005286  -0.000147  -0.000082   0.000040  -0.000020
     8  C    0.083492  -0.220235  -0.005083  -0.000106  -0.006348   0.031194
     9  C    0.213862   0.105415  -0.017613  -0.006984  -0.029931  -0.000759
    10  C    0.086236  -0.401839   0.188077   0.381984  -0.021285   0.011223
    11  C    0.000007  -0.001610  -0.000359  -0.000006   0.000137   0.000014
    12  H   -0.346116   0.056310   0.069343  -0.125724   0.001129  -0.003256
    13  H    1.536801  -0.031721  -0.145670   0.086951  -0.030233   0.027972
    14  H   -0.031721   2.980644   0.078832  -0.161098   0.004351  -0.002429
    15  H   -0.145670   0.078832   1.048973  -0.302732   0.012723   0.001178
    16  H    0.086951  -0.161098  -0.302732   1.452163  -0.002012   0.001422
    17  H   -0.030233   0.004351   0.012723  -0.002012   0.717037  -0.067366
    18  H    0.027972  -0.002429   0.001178   0.001422  -0.067366   0.930057
    19  H   -0.002430  -0.003475   0.001083   0.000753  -0.032613  -0.123091
    20  H    0.002612  -0.051445   0.000252   0.001420  -0.001802   0.004441
    21  H   -0.000646   0.022572  -0.000346  -0.000057  -0.001750  -0.013988
    22  H   -0.000521   0.007076  -0.000560   0.000281  -0.002271   0.011283
    23  H   -0.002124   0.223291  -0.011430  -0.006628   0.017894   0.000766
    24  H   -0.000048  -0.022961  -0.000170  -0.000360   0.000353   0.000231
    25  H   -0.000001   0.000117  -0.000033   0.000028   0.000281   0.000020
    26  H    0.000000   0.000176  -0.000081   0.000003   0.000002  -0.000012
    27  H   -0.000000  -0.000067   0.000012   0.000001   0.000027  -0.000000
              19         20         21         22         23         24
     1  C   -0.040629   0.001078   0.010226   0.025132   0.016123   0.000891
     2  C    0.185589  -0.040474   0.204838   0.202099  -0.124587  -0.009642
     3  C   -0.008065  -0.047620   0.024795   0.022603  -0.356073  -0.045467
     4  C    0.035648   0.000894  -0.001055  -0.000246  -0.460818  -0.264798
     5  C    0.004493   0.006877  -0.004809  -0.000788  -1.047363   0.130306
     6  C    0.000683   0.000076   0.000851  -0.000022   0.022927  -0.155184
     7  O   -0.000244  -0.000038  -0.000025   0.000003   0.019720  -0.041429
     8  C   -0.004280   0.501236  -0.006065  -0.032842  -0.020990  -0.000326
     9  C    0.006741  -0.032589   0.001952   0.042530  -0.001574  -0.000619
    10  C    0.000658   0.024824  -0.009693  -0.013312  -0.071146  -0.000369
    11  C   -0.000079  -0.000017   0.000009   0.000005  -0.061456  -0.004292
    12  H   -0.000907  -0.004389  -0.000460  -0.004657   0.001014  -0.000003
    13  H   -0.002430   0.002612  -0.000646  -0.000521  -0.002124  -0.000048
    14  H   -0.003475  -0.051445   0.022572   0.007076   0.223291  -0.022961
    15  H    0.001083   0.000252  -0.000346  -0.000560  -0.011430  -0.000170
    16  H    0.000753   0.001420  -0.000057   0.000281  -0.006628  -0.000360
    17  H   -0.032613  -0.001802  -0.001750  -0.002271   0.017894   0.000353
    18  H   -0.123091   0.004441  -0.013988   0.011283   0.000766   0.000231
    19  H    0.705484  -0.001136   0.019779  -0.013889  -0.017026  -0.000022
    20  H   -0.001136   0.778184  -0.074707  -0.081946  -0.000480   0.001129
    21  H    0.019779  -0.074707   0.641574   0.012173   0.000812  -0.000458
    22  H   -0.013889  -0.081946   0.012173   0.707995   0.001234   0.000005
    23  H   -0.017026  -0.000480   0.000812   0.001234   2.463829   0.131441
    24  H   -0.000022   0.001129  -0.000458   0.000005   0.131441   1.068362
    25  H   -0.000173   0.000000   0.000007   0.000000   0.003814  -0.004732
    26  H   -0.000290  -0.000003   0.000030  -0.000001  -0.008950  -0.005850
    27  H   -0.000001   0.000000  -0.000000   0.000000   0.016086   0.005367
              25         26         27
     1  C   -0.000251   0.001238   0.000010
     2  C   -0.000007  -0.000614  -0.000050
     3  C    0.003686   0.006421  -0.000921
     4  C   -0.007507   0.000185   0.019838
     5  C   -0.046432  -0.046868   0.032494
     6  C    0.074315   0.066249   0.125556
     7  O    0.003599   0.006124  -0.019078
     8  C    0.000015  -0.000032  -0.000001
     9  C    0.000025   0.000064   0.000005
    10  C    0.000132  -0.000060  -0.000033
    11  C    0.236399   0.237652   0.339726
    12  H    0.000000   0.000002  -0.000000
    13  H   -0.000001   0.000000  -0.000000
    14  H    0.000117   0.000176  -0.000067
    15  H   -0.000033  -0.000081   0.000012
    16  H    0.000028   0.000003   0.000001
    17  H    0.000281   0.000002   0.000027
    18  H    0.000020  -0.000012  -0.000000
    19  H   -0.000173  -0.000290  -0.000001
    20  H    0.000000  -0.000003   0.000000
    21  H    0.000007   0.000030  -0.000000
    22  H    0.000000  -0.000001   0.000000
    23  H    0.003814  -0.008950   0.016086
    24  H   -0.004732  -0.005850   0.005367
    25  H    0.480751   0.036417  -0.029771
    26  H    0.036417   0.499342  -0.034716
    27  H   -0.029771  -0.034716   0.820896
 Mulliken charges:
               1
     1  C    1.447947
     2  C   -4.186488
     3  C    0.543247
     4  C   -0.191653
     5  C   -0.716616
     6  C   -0.176389
     7  O   -0.404554
     8  C    1.114825
     9  C    0.854607
    10  C    0.647639
    11  C    0.437313
    12  H    0.126411
    13  H   -0.313865
    14  H   -0.157908
    15  H    0.071995
    16  H   -0.388739
    17  H   -0.023975
    18  H    0.014242
    19  H    0.287437
    20  H    0.013622
    21  H    0.174440
    22  H    0.118634
    23  H    0.271692
    24  H    0.218643
    25  H    0.249300
    26  H    0.243571
    27  H   -0.275379
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.725651
     2  C   -4.186488
     3  C    0.385339
     4  C    0.080039
     5  C   -0.497973
     6  C   -0.176389
     7  O   -0.404554
     8  C    1.421521
     9  C    0.667153
    10  C    0.330894
    11  C    0.654806
 Electronic spatial extent (au):  <R**2>=           2481.9260
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.6975    Y=             -1.5121    Z=              1.6198  Tot=              4.3106
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -83.4243   YY=            -69.5417   ZZ=            -67.7832
   XY=             -5.9742   XZ=              7.1017   YZ=              0.0065
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -9.8412   YY=              4.0414   ZZ=              5.7999
   XY=             -5.9742   XZ=              7.1017   YZ=              0.0065
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -64.6026  YYY=             -1.0480  ZZZ=             -3.8870  XYY=              0.9571
  XXY=            -22.5271  XXZ=             28.2923  XZZ=             -0.5161  YZZ=              0.4229
  YYZ=              1.8959  XYZ=              3.0144
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2782.6013 YYYY=           -462.0136 ZZZZ=           -417.7122 XXXY=            -98.5654
 XXXZ=            100.7150 YYYX=              4.8217 YYYZ=             -2.8165 ZZZX=              4.6720
 ZZZY=             -1.3474 XXYY=           -503.7541 XXZZ=           -483.4991 YYZZ=           -145.0194
 XXYZ=             15.3021 YYXZ=              0.7435 ZZXY=              0.6417
 N-N= 6.081190246390D+02 E-N=-2.293956187322D+03  KE= 4.599891678828D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Sep 26 20:21:05 2021, MaxMem=  6442450944 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.42079279D+00-5.59810245D-01 5.92930608D-01
 Polarizability= 1.60911171D+02 7.13297168D+00 1.05896492D+02
                -3.02958785D+00-4.33051648D+00 1.07218356D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        2.2720    2.2733        4.3042    4.3072
 2     -2.2720   -2.2733        2.1910    2.1920      -29.6750  -29.6764
 3     -4.3042   -4.3072       29.2676   29.2722       -2.1921   -2.1920
 4     -2.1910   -2.1920        0.0000    0.0000       -4.3047   -4.3072
 5      0.4074    0.4043        4.3047    4.3072        2.2728    2.2733
 6      2.1921    2.1920       -2.2728   -2.2733        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -6.8200   -6.8200       12.9215   12.9215
 2     -6.5759   -6.5759        0.0000    0.0000       12.9215   12.9215
 3     -6.5759   -6.5759       -6.8200   -6.8200       -0.0000    0.0000
 4     -6.8200   -6.8200        6.5759    6.5759      -89.0293  -89.0293
 5    -12.9215  -12.9215       87.8166   87.8166       -6.5759   -6.5759
 6      1.2128    1.2128       12.9215   12.9215        6.8200    6.8200
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1903    0.0000       -8.6949   -9.0933      -17.6143  -17.2287
 2      8.8853    9.0933       -8.9873   -8.7678      118.8266  118.7058
 3     17.1308   17.2287     -116.9620 -117.0888        8.9922    8.7678
 4      8.8563    8.7678        0.0813    0.0000       17.2581   17.2287
 5     -1.8299   -1.6170      -17.0130  -17.2287       -9.1111   -9.0933
 6     -8.6902   -8.7678        9.1828    9.0933       -0.0157    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1300    0.0000      -27.8366  -28.0882      -25.7932  -26.2216
 2     28.3359   28.0882       16.8356   15.9200       17.7211   17.2496
 3     25.5860   26.2216       55.9025   56.9608      -16.3584  -15.9200
 4    -15.8944  -15.9200        0.0598    0.0000       26.3874   26.2216
 5    -74.7363  -74.2104      -26.8230  -26.2216      -28.7902  -28.0882
 6     15.9565   15.9200       28.1934   28.0882       -0.1172    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -30.8219  -31.0925      -38.6298  -38.8436      -15.0436  -15.1929
 2    -42.0287  -42.5649      -62.5391  -62.7010      -15.1986  -15.1929
 3    -41.9618  -42.5649      -38.7805  -38.8436       -7.2037   -7.2170
 4     24.4722   23.8574       11.4191   11.4724       39.1803   38.9512
 5      8.1282    7.9759       55.2465   55.6058      -12.5505  -11.4724
 6    -95.3205  -94.5570       -8.6610   -7.9759      -24.7531  -23.8574
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0003    0.0001    0.0008    2.3280    3.9918    9.0403
 Low frequencies ---   34.0682   64.4603   81.0821
 Diagonal vibrational polarizability:
       18.5500352      56.4003859      26.6129305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.0659                64.4602                81.0789
 Red. masses --      4.0708                 3.1521                 2.9689
 Frc consts  --      0.0028                 0.0077                 0.0115
 IR Inten    --      3.2274                 0.4045                 1.5043
 RamAct Fr= 1--      2.5907                 0.9300                 0.3032
  Dep-P Fr= 1--      0.7256                 0.7213                 0.5631
  Dep-U Fr= 1--      0.8410                 0.8381                 0.7205
 Alpha2 Fr= 1--      0.0011                 0.0005                 0.0011
 Beta2  Fr= 1--      0.3631                 0.1299                 0.0364
 AlphaG Fr= 1--     -0.0021                 0.0011                 0.0041
 Gamma2 Fr= 1--     -0.1195                 0.1615                 0.0383
 Delta2 Fr= 1--     -0.0103                -0.0363                 0.0014
 Raman1 Fr= 1--      10.363                  3.720                  1.213
 ROA1   Fr= 1--     -11.799                 14.339                  3.719
 CID1   Fr= 1--      -1.139                  3.855                  3.066
 Raman2 Fr= 1--       4.357                  1.559                  0.437
 ROA2   Fr= 1--      -2.785                  4.166                  0.907
 CID2   Fr= 1--      -0.639                  2.672                  2.076
 Raman3 Fr= 1--       8.715                  3.118                  0.874
 ROA3   Fr= 1--     -11.799                 14.339                  3.719
 CID3   Fr= 1--      -1.354                  4.599                  4.256
 RC180  Fr= 1--       0.682                  0.676                  0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.10   0.09  -0.03     0.05  -0.12  -0.00     0.22   0.04  -0.01
     2   6     0.05   0.01  -0.03     0.06  -0.02   0.00     0.04  -0.01   0.01
     3   6    -0.01  -0.10  -0.03    -0.01  -0.09  -0.03    -0.02   0.03  -0.10
     4   6    -0.01  -0.12  -0.05    -0.01  -0.12  -0.05    -0.01   0.01  -0.13
     5   6    -0.04   0.00   0.02    -0.03  -0.07  -0.03     0.01   0.03  -0.07
     6   6    -0.04   0.04   0.03    -0.04   0.04   0.00    -0.03  -0.01   0.03
     7   8    -0.09   0.25   0.16    -0.05   0.02  -0.03     0.04  -0.06   0.09
     8   6     0.12   0.01  -0.11     0.21   0.04   0.08    -0.08  -0.04   0.02
     9   6    -0.03   0.03   0.07    -0.04   0.09  -0.04     0.02  -0.05   0.14
    10   6    -0.08  -0.06   0.07    -0.11  -0.02  -0.02    -0.00   0.02  -0.08
    11   6     0.02  -0.18  -0.11    -0.05   0.21   0.11    -0.17   0.03   0.08
    12   1    -0.04   0.01   0.08     0.02   0.16  -0.05    -0.15  -0.07   0.25
    13   1    -0.02   0.11   0.12    -0.11   0.15  -0.07     0.17  -0.11   0.25
    14   1    -0.02  -0.15  -0.05    -0.01  -0.09  -0.03    -0.06   0.07  -0.09
    15   1    -0.10  -0.03   0.10    -0.18  -0.04  -0.01     0.12  -0.03  -0.17
    16   1    -0.15  -0.11   0.10    -0.15  -0.03  -0.02    -0.12   0.09  -0.11
    17   1     0.05   0.10   0.03    -0.04  -0.15  -0.06     0.29   0.06  -0.01
    18   1     0.14   0.18  -0.01     0.08  -0.06   0.01     0.27   0.03   0.08
    19   1     0.15   0.06  -0.10     0.11  -0.21   0.03     0.24   0.08  -0.13
    20   1     0.08  -0.05  -0.10     0.20   0.11   0.08    -0.21  -0.07   0.04
    21   1     0.17  -0.03  -0.18     0.30  -0.07   0.09    -0.09   0.01  -0.10
    22   1     0.16   0.09  -0.09     0.26   0.12   0.11    -0.04  -0.07   0.11
    23   1     0.02  -0.22  -0.11     0.00  -0.12  -0.05    -0.02  -0.03  -0.16
    24   1    -0.07   0.11   0.09    -0.04  -0.08  -0.04     0.06   0.07  -0.05
    25   1     0.11  -0.18  -0.31    -0.05   0.20   0.26    -0.23   0.04   0.12
    26   1    -0.03  -0.38  -0.03    -0.05   0.33   0.04    -0.19   0.11   0.02
    27   1     0.01  -0.13  -0.09    -0.05   0.24   0.10    -0.18  -0.02   0.14
                      4                      5                      6
                      A                      A                      A
 Frequencies --    124.2661               147.2191               161.0704
 Red. masses --      1.0300                 3.3943                 2.8014
 Frc consts  --      0.0094                 0.0433                 0.0428
 IR Inten    --      0.0338                 1.4184                 2.0693
 RamAct Fr= 1--      0.0714                 0.8962                 0.2973
  Dep-P Fr= 1--      0.5617                 0.6698                 0.4983
  Dep-U Fr= 1--      0.7194                 0.8022                 0.6651
 Alpha2 Fr= 1--      0.0003                 0.0013                 0.0015
 Beta2  Fr= 1--      0.0086                 0.1198                 0.0330
 AlphaG Fr= 1--     -0.0008                -0.0290                -0.0091
 Gamma2 Fr= 1--     -0.0167                -0.1276                -0.2838
 Delta2 Fr= 1--     -0.0125                 0.0919                -0.1836
 Raman1 Fr= 1--       0.286                  3.585                  1.189
 ROA1   Fr= 1--      -2.002                 -9.308                -33.122
 CID1   Fr= 1--      -7.008                 -2.596                -27.849
 Raman2 Fr= 1--       0.103                  1.438                  0.396
 ROA2   Fr= 1--      -0.301                 -3.798                 -5.342
 CID2   Fr= 1--      -2.925                 -2.641                -13.506
 Raman3 Fr= 1--       0.206                  2.876                  0.791
 ROA3   Fr= 1--      -2.002                 -9.308                -33.122
 CID3   Fr= 1--      -9.742                 -3.236                -41.870
 RC180  Fr= 1--       0.439                  0.604                  0.330
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00     0.03   0.01  -0.02    -0.03  -0.08  -0.02
     2   6     0.00   0.00   0.00     0.01  -0.02  -0.01     0.00  -0.00  -0.02
     3   6    -0.00   0.00  -0.00    -0.00  -0.04  -0.01    -0.00  -0.02  -0.00
     4   6    -0.00   0.01  -0.00    -0.01  -0.05   0.02     0.02   0.11  -0.07
     5   6     0.00  -0.00  -0.01    -0.08   0.29   0.23    -0.00   0.16  -0.07
     6   6    -0.00   0.01   0.00    -0.02   0.06   0.05    -0.03   0.04  -0.03
     7   8     0.01  -0.03  -0.01    -0.00  -0.14  -0.12     0.07  -0.05   0.03
     8   6     0.00   0.00   0.01     0.05  -0.03  -0.06     0.07   0.02   0.04
     9   6     0.00   0.00   0.00    -0.01  -0.02   0.01     0.02  -0.00  -0.05
    10   6    -0.00   0.00   0.00    -0.03  -0.02  -0.05     0.06  -0.07   0.20
    11   6    -0.01   0.01   0.01     0.04   0.01   0.00    -0.18  -0.05  -0.04
    12   1     0.00   0.00   0.00    -0.05  -0.01   0.04     0.19  -0.05  -0.18
    13   1    -0.00   0.00   0.00     0.02  -0.03   0.04    -0.12   0.10  -0.12
    14   1    -0.00   0.00  -0.00     0.03  -0.01   0.01    -0.11  -0.13  -0.06
    15   1     0.00   0.00   0.00    -0.03  -0.06  -0.09     0.03   0.12   0.39
    16   1    -0.00  -0.00   0.00    -0.06   0.03  -0.08     0.13  -0.30   0.32
    17   1     0.00  -0.00  -0.00     0.00   0.01   0.01    -0.04  -0.09  -0.05
    18   1     0.00  -0.01   0.00     0.06   0.06  -0.00    -0.04  -0.09  -0.03
    19   1     0.00  -0.00   0.00     0.07  -0.01  -0.06    -0.03  -0.10   0.03
    20   1    -0.00   0.01   0.01     0.01  -0.07  -0.06     0.08   0.08   0.04
    21   1     0.00   0.00   0.01     0.10  -0.06  -0.13     0.11  -0.03   0.06
    22   1     0.00   0.00   0.01     0.09   0.04  -0.04     0.09   0.05   0.05
    23   1    -0.00   0.03   0.01     0.04  -0.37  -0.18     0.08   0.11  -0.08
    24   1     0.01  -0.03  -0.02    -0.15   0.56   0.41     0.01   0.17  -0.06
    25   1     0.52  -0.11  -0.23     0.05   0.01  -0.05    -0.27  -0.01  -0.11
    26   1    -0.43  -0.39  -0.09     0.07  -0.06   0.05    -0.18  -0.03  -0.06
    27   1    -0.10   0.46   0.30     0.05  -0.01  -0.05    -0.19  -0.16   0.02
                      7                      8                      9
                      A                      A                      A
 Frequencies --    221.2189               245.1834               271.8350
 Red. masses --      1.3396                 1.7003                 2.6112
 Frc consts  --      0.0386                 0.0602                 0.1137
 IR Inten    --      0.0594                 0.6904                 0.6248
 RamAct Fr= 1--      0.4639                 0.6840                 2.7962
  Dep-P Fr= 1--      0.5568                 0.4903                 0.1662
  Dep-U Fr= 1--      0.7153                 0.6580                 0.2850
 Alpha2 Fr= 1--      0.0017                 0.0035                 0.0415
 Beta2  Fr= 1--      0.0553                 0.0750                 0.1328
 AlphaG Fr= 1--     -0.0018                 0.0095                 0.0009
 Gamma2 Fr= 1--     -0.4699                 0.1095                 0.8610
 Delta2 Fr= 1--     -0.0403                 0.2513                 0.0395
 Raman1 Fr= 1--       1.856                  2.736                 11.185
 ROA1   Fr= 1--     -46.400                 18.555                 83.916
 CID1   Fr= 1--     -25.004                  6.782                  7.503
 Raman2 Fr= 1--       0.664                  0.900                  1.594
 ROA2   Fr= 1--     -10.956                  0.617                 20.348
 CID2   Fr= 1--     -16.508                  0.686                 12.765
 Raman3 Fr= 1--       1.327                  1.800                  3.188
 ROA3   Fr= 1--     -46.400                 18.555                 83.916
 CID3   Fr= 1--     -34.957                 10.307                 26.323
 RC180  Fr= 1--       0.431                  0.316                 -0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.03    -0.08   0.05   0.08     0.16  -0.02  -0.06
     2   6     0.01   0.02  -0.02     0.03  -0.02   0.06     0.02  -0.01  -0.04
     3   6    -0.00  -0.02  -0.02     0.03  -0.00   0.05     0.02   0.04   0.02
     4   6     0.01  -0.05  -0.03     0.03  -0.01   0.00    -0.07   0.11   0.17
     5   6     0.01   0.00   0.02    -0.01   0.02  -0.04    -0.07  -0.04   0.05
     6   6     0.02  -0.00   0.01    -0.02   0.01  -0.04    -0.09  -0.00   0.02
     7   8     0.01  -0.00   0.00     0.00   0.01  -0.00    -0.13  -0.00  -0.05
     8   6    -0.10   0.01   0.03     0.10  -0.03  -0.04     0.05   0.01  -0.00
     9   6    -0.01   0.05  -0.03     0.03  -0.03   0.05     0.05  -0.04  -0.05
    10   6    -0.03  -0.01   0.05     0.03   0.01  -0.07     0.09  -0.00  -0.02
    11   6     0.04   0.01   0.01    -0.11   0.00  -0.03    -0.05  -0.03  -0.01
    12   1     0.06   0.06  -0.07    -0.05  -0.01   0.11     0.08  -0.05  -0.08
    13   1    -0.08   0.10  -0.05     0.11  -0.09   0.08     0.03  -0.05  -0.08
    14   1    -0.00  -0.06  -0.04     0.02   0.07   0.08     0.09   0.01   0.01
    15   1    -0.06   0.05   0.12     0.04  -0.09  -0.18     0.10   0.00  -0.02
    16   1    -0.03  -0.09   0.09    -0.00   0.14  -0.14     0.15   0.01  -0.03
    17   1    -0.04  -0.03  -0.04    -0.21   0.04   0.16    -0.11  -0.08  -0.06
    18   1     0.13   0.11   0.02    -0.10   0.17  -0.01     0.34   0.28   0.07
    19   1     0.16  -0.10  -0.09    -0.05  -0.01   0.11     0.40  -0.27  -0.21
    20   1     0.31   0.12  -0.03     0.54  -0.02  -0.12     0.13   0.05  -0.01
    21   1    -0.36   0.16   0.47    -0.05   0.01   0.32     0.05  -0.02   0.08
    22   1    -0.39  -0.28  -0.28    -0.15  -0.10  -0.41     0.02   0.01  -0.05
    23   1     0.01  -0.11  -0.07     0.06  -0.02  -0.01    -0.13   0.30   0.29
    24   1     0.01   0.06   0.05    -0.05   0.02  -0.03    -0.07  -0.22  -0.06
    25   1     0.05   0.00   0.03    -0.13   0.01  -0.05    -0.07  -0.03  -0.04
    26   1     0.04   0.01   0.02    -0.14   0.01  -0.06    -0.02  -0.06   0.03
    27   1     0.04   0.03   0.00    -0.12  -0.03   0.03    -0.04  -0.06  -0.04
                     10                     11                     12
                      A                      A                      A
 Frequencies --    290.3689               315.3975               351.5791
 Red. masses --      1.1987                 2.1583                 2.4524
 Frc consts  --      0.0595                 0.1265                 0.1786
 IR Inten    --      0.0608                 0.1001                 0.3846
 RamAct Fr= 1--      1.5258                 1.3154                 1.0926
  Dep-P Fr= 1--      0.1485                 0.4538                 0.7476
  Dep-U Fr= 1--      0.2586                 0.6243                 0.8556
 Alpha2 Fr= 1--      0.0237                 0.0079                 0.0000
 Beta2  Fr= 1--      0.0658                 0.1369                 0.1558
 AlphaG Fr= 1--     -0.0258                 0.0170                -0.0003
 Gamma2 Fr= 1--     -0.0290                -0.1878                -0.6421
 Delta2 Fr= 1--      0.0627                 0.0253                -0.1354
 Raman1 Fr= 1--       6.103                  5.261                  4.371
 ROA1   Fr= 1--      -0.776                -17.217                -65.974
 CID1   Fr= 1--      -0.127                 -3.272                -15.095
 Raman2 Fr= 1--       0.789                  1.642                  1.870
 ROA2   Fr= 1--      -1.198                 -4.708                -14.328
 CID2   Fr= 1--      -1.518                 -2.867                 -7.663
 Raman3 Fr= 1--       1.578                  3.285                  3.739
 ROA3   Fr= 1--      -0.776                -17.217                -65.974
 CID3   Fr= 1--      -0.492                 -5.242                -17.644
 RC180  Fr= 1--      -0.483                  0.249                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.01  -0.01     0.00  -0.11  -0.06    -0.08   0.12  -0.05
     2   6     0.03   0.01  -0.01    -0.03  -0.00  -0.04    -0.02  -0.00  -0.06
     3   6     0.02  -0.01   0.01    -0.06   0.01  -0.05    -0.03   0.03  -0.11
     4   6    -0.01  -0.02   0.04    -0.05   0.15   0.00    -0.05  -0.02  -0.10
     5   6    -0.03  -0.01   0.02     0.02   0.03  -0.00    -0.01  -0.01   0.00
     6   6    -0.04  -0.00   0.00     0.02   0.02   0.04    -0.03  -0.04   0.03
     7   8    -0.05  -0.00  -0.02     0.04  -0.02   0.02    -0.07  -0.01   0.00
     8   6     0.01   0.01   0.01     0.08   0.02  -0.06     0.07   0.08   0.15
     9   6     0.03   0.02  -0.02    -0.07  -0.03   0.12     0.04  -0.13   0.02
    10   6     0.03  -0.00   0.00    -0.08  -0.01   0.01     0.10  -0.04   0.01
    11   6    -0.04  -0.01  -0.00     0.10  -0.01   0.01     0.07  -0.00   0.04
    12   1     0.06   0.03  -0.04    -0.24  -0.13   0.20    -0.05  -0.26   0.03
    13   1     0.01   0.03  -0.04     0.08  -0.02   0.27     0.14  -0.15   0.10
    14   1     0.05  -0.01   0.00    -0.09  -0.03  -0.08    -0.07   0.01  -0.11
    15   1     0.01   0.00   0.01    -0.01  -0.04  -0.04     0.23   0.06   0.05
    16   1     0.04  -0.01   0.00    -0.16   0.03  -0.01     0.09  -0.12   0.05
    17   1     0.58   0.12  -0.08     0.13  -0.12  -0.19    -0.12   0.15   0.11
    18   1    -0.14  -0.51  -0.01    -0.04  -0.31  -0.02    -0.12   0.21  -0.16
    19   1    -0.31   0.43   0.06    -0.08  -0.05   0.03    -0.10   0.15  -0.07
    20   1     0.12   0.05  -0.01     0.36   0.05  -0.11     0.13   0.37   0.16
    21   1    -0.05   0.04   0.12     0.05  -0.03   0.16     0.13  -0.07   0.35
    22   1    -0.06  -0.06  -0.07    -0.04   0.05  -0.28     0.09   0.06   0.20
    23   1    -0.01  -0.02   0.03    -0.10   0.32   0.11    -0.10  -0.10  -0.14
    24   1    -0.05  -0.02   0.02     0.11  -0.11  -0.10     0.05   0.07   0.04
    25   1    -0.04  -0.01  -0.01     0.10  -0.01  -0.00     0.12  -0.02   0.10
    26   1    -0.04  -0.01  -0.00     0.16  -0.05   0.07     0.11  -0.01   0.07
    27   1    -0.04  -0.01   0.00     0.12  -0.00  -0.07     0.08   0.07  -0.04
                     13                     14                     15
                      A                      A                      A
 Frequencies --    372.0731               408.6510               454.2721
 Red. masses --      2.5053                 2.3769                 2.4725
 Frc consts  --      0.2043                 0.2339                 0.3006
 IR Inten    --      0.2199                 0.2040                 0.0456
 RamAct Fr= 1--      2.0342                 0.5850                 1.5811
  Dep-P Fr= 1--      0.2754                 0.7094                 0.4308
  Dep-U Fr= 1--      0.4318                 0.8300                 0.6021
 Alpha2 Fr= 1--      0.0224                 0.0004                 0.0105
 Beta2  Fr= 1--      0.1464                 0.0809                 0.1587
 AlphaG Fr= 1--      0.0255                -0.0077                -0.0414
 Gamma2 Fr= 1--      0.2644                 0.1385                -0.3760
 Delta2 Fr= 1--      0.2458                 0.1431                -0.1735
 Raman1 Fr= 1--       8.137                  2.340                  6.325
 ROA1   Fr= 1--      33.251                 17.876                -41.649
 CID1   Fr= 1--       4.086                  7.640                 -6.585
 Raman2 Fr= 1--       1.757                  0.971                  1.904
 ROA2   Fr= 1--       4.379                  2.179                 -7.636
 CID2   Fr= 1--       2.493                  2.244                 -4.010
 Raman3 Fr= 1--       3.514                  1.942                  3.808
 ROA3   Fr= 1--      33.251                 17.876                -41.649
 CID3   Fr= 1--       9.463                  9.204                -10.937
 RC180  Fr= 1--      -0.136                  0.660                  0.204
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.15   0.02    -0.05   0.00  -0.12    -0.05   0.01   0.06
     2   6    -0.05  -0.09   0.02     0.04   0.04  -0.11     0.18  -0.01   0.00
     3   6    -0.04  -0.09   0.02     0.07  -0.09   0.00     0.05  -0.07  -0.11
     4   6    -0.01   0.09   0.04     0.05  -0.04   0.13    -0.01   0.08  -0.05
     5   6     0.01   0.04  -0.02     0.02  -0.02   0.06    -0.01   0.05  -0.03
     6   6     0.04   0.06   0.01     0.05   0.07  -0.02    -0.08   0.05   0.08
     7   8     0.09  -0.02   0.03     0.07   0.02  -0.04    -0.09  -0.05  -0.01
     8   6     0.03  -0.06   0.10    -0.05   0.08   0.07    -0.02  -0.07   0.02
     9   6    -0.08  -0.02  -0.11     0.01   0.00   0.08     0.10   0.11   0.03
    10   6    -0.10  -0.09  -0.08    -0.04  -0.05  -0.02    -0.03  -0.04  -0.02
    11   6     0.02   0.00  -0.02    -0.09   0.00  -0.05     0.04  -0.03   0.03
    12   1     0.04   0.11  -0.14    -0.19  -0.14   0.16     0.14   0.20   0.04
    13   1    -0.20  -0.04  -0.23     0.18   0.07   0.28     0.03   0.20   0.03
    14   1    -0.06  -0.09   0.02     0.20  -0.18  -0.04     0.00  -0.10  -0.12
    15   1    -0.21  -0.15  -0.09    -0.07  -0.18  -0.13    -0.04  -0.05  -0.03
    16   1    -0.07  -0.02  -0.11    -0.14   0.08  -0.08    -0.15  -0.05  -0.01
    17   1     0.21   0.25   0.25    -0.14  -0.02  -0.14    -0.21   0.00   0.15
    18   1     0.08   0.20   0.04    -0.10   0.02  -0.21    -0.19   0.08  -0.21
    19   1     0.01   0.33  -0.22    -0.06  -0.05  -0.02    -0.11  -0.02   0.27
    20   1     0.06   0.06   0.11    -0.19   0.27   0.11    -0.19  -0.14   0.04
    21   1     0.07  -0.14   0.19    -0.07   0.10   0.11    -0.15   0.12  -0.09
    22   1     0.04  -0.06   0.12    -0.00  -0.08   0.25    -0.05  -0.27   0.11
    23   1     0.00   0.28   0.15     0.03   0.06   0.18    -0.05   0.31   0.10
    24   1     0.04  -0.13  -0.12    -0.08  -0.13   0.00     0.12  -0.15  -0.16
    25   1    -0.01   0.02  -0.09    -0.20   0.04  -0.16     0.06  -0.02  -0.05
    26   1     0.05  -0.04   0.01    -0.15  -0.00  -0.09     0.16  -0.14   0.17
    27   1     0.03  -0.05  -0.04    -0.12  -0.14   0.09     0.08  -0.03  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    527.9901               575.3754               585.9863
 Red. masses --      2.7784                 3.2269                 2.8023
 Frc consts  --      0.4563                 0.6294                 0.5669
 IR Inten    --     10.2516                10.1770                 3.5327
 RamAct Fr= 1--      3.2158                 1.0721                 2.9522
  Dep-P Fr= 1--      0.2777                 0.7126                 0.0675
  Dep-U Fr= 1--      0.4347                 0.8322                 0.1265
 Alpha2 Fr= 1--      0.0352                 0.0007                 0.0559
 Beta2  Fr= 1--      0.2330                 0.1487                 0.0623
 AlphaG Fr= 1--     -0.0070                -0.0136                -0.1894
 Gamma2 Fr= 1--      0.4864                -0.7951                 0.6212
 Delta2 Fr= 1--     -0.0095                 0.0318                 0.0504
 Raman1 Fr= 1--      12.863                  4.288                 11.809
 ROA1   Fr= 1--      46.388                -75.314                 61.243
 CID1   Fr= 1--       3.606                -17.562                  5.186
 Raman2 Fr= 1--       2.796                  1.784                  0.747
 ROA2   Fr= 1--      11.749                -19.337                 14.505
 CID2   Fr= 1--       4.202                -10.837                 19.418
 Raman3 Fr= 1--       5.592                  3.569                  1.494
 ROA3   Fr= 1--      46.388                -75.314                 61.243
 CID3   Fr= 1--       8.295                -21.104                 40.992
 RC180  Fr= 1--      -0.131                  0.664                 -0.747
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.04     0.01  -0.01   0.05     0.01  -0.01   0.05
     2   6    -0.00   0.05  -0.02     0.01   0.02   0.03    -0.09   0.06   0.04
     3   6     0.03  -0.06   0.13    -0.04   0.04  -0.11     0.00  -0.05   0.08
     4   6     0.05  -0.01   0.03    -0.12  -0.13   0.02     0.09  -0.05  -0.09
     5   6    -0.10   0.07  -0.14    -0.11  -0.11   0.04     0.07  -0.02  -0.08
     6   6    -0.15  -0.04  -0.06    -0.04   0.20   0.04    -0.02   0.17   0.15
     7   8     0.01  -0.09   0.17     0.16  -0.08   0.07    -0.06  -0.03  -0.10
     8   6    -0.03   0.08  -0.01     0.00   0.01  -0.01    -0.04   0.14  -0.03
     9   6     0.03  -0.01  -0.00     0.04  -0.01  -0.00    -0.01  -0.06  -0.03
    10   6     0.02  -0.04  -0.01     0.05   0.04  -0.00     0.02  -0.04  -0.01
    11   6     0.06   0.05  -0.06     0.00   0.10  -0.13    -0.01  -0.03   0.09
    12   1    -0.01  -0.07  -0.00     0.07   0.01  -0.02     0.00  -0.11  -0.05
    13   1     0.06   0.01   0.04     0.01  -0.05  -0.05    -0.01  -0.10  -0.06
    14   1     0.07  -0.11   0.11     0.00   0.11  -0.07    -0.05  -0.06   0.07
    15   1    -0.06  -0.24  -0.17     0.18   0.22   0.12    -0.03  -0.18  -0.12
    16   1     0.04   0.19  -0.14     0.06  -0.15   0.10     0.05   0.12  -0.10
    17   1     0.01  -0.03  -0.13    -0.01  -0.01   0.05     0.06  -0.04  -0.10
    18   1     0.03  -0.04   0.03    -0.01  -0.02   0.02     0.10  -0.06   0.23
    19   1     0.03  -0.05  -0.03    -0.01  -0.01   0.11     0.07  -0.06  -0.02
    20   1    -0.07   0.11   0.00     0.03  -0.04  -0.02     0.01   0.11  -0.04
    21   1    -0.04   0.10  -0.01     0.00   0.02  -0.03     0.01   0.09  -0.04
    22   1    -0.02   0.04   0.04    -0.01   0.05  -0.05    -0.03   0.25  -0.08
    23   1     0.27  -0.02  -0.00    -0.31  -0.05   0.09     0.18   0.05  -0.04
    24   1    -0.19   0.11  -0.10    -0.24  -0.30  -0.06     0.20  -0.14  -0.16
    25   1     0.29  -0.03   0.16    -0.04   0.14  -0.44    -0.11   0.03  -0.33
    26   1     0.24   0.04   0.07     0.14  -0.17   0.10     0.11  -0.34   0.32
    27   1     0.12   0.33  -0.41     0.05  -0.04  -0.30     0.03  -0.28  -0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    618.6316               732.5006               796.9197
 Red. masses --      2.8782                 1.9296                 2.3502
 Frc consts  --      0.6490                 0.6100                 0.8794
 IR Inten    --      0.7427                 0.5621                 1.6301
 RamAct Fr= 1--      3.9428                 9.0026                16.9692
  Dep-P Fr= 1--      0.1115                 0.0293                 0.5884
  Dep-U Fr= 1--      0.2007                 0.0570                 0.7408
 Alpha2 Fr= 1--      0.0671                 0.1868                 0.0512
 Beta2  Fr= 1--      0.1319                 0.0855                 2.0952
 AlphaG Fr= 1--      0.1674                 0.3278                 0.0770
 Gamma2 Fr= 1--     -0.8364                 0.6461                 4.6595
 Delta2 Fr= 1--     -0.3369                -0.4151                -0.6016
 Raman1 Fr= 1--      15.771                 36.010                 67.877
 ROA1   Fr= 1--     -91.072                 48.743                428.066
 CID1   Fr= 1--      -5.775                  1.354                  6.307
 Raman2 Fr= 1--       1.582                  1.026                 25.143
 ROA2   Fr= 1--     -17.378                 18.828                116.642
 CID2   Fr= 1--     -10.982                 18.351                  4.639
 Raman3 Fr= 1--       3.165                  2.052                 50.286
 ROA3   Fr= 1--     -91.072                 48.743                428.066
 CID3   Fr= 1--     -28.777                 23.754                  8.513
 RC180  Fr= 1--      -0.599                 -0.886                  0.482
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.13     0.02  -0.01   0.13     0.02   0.00  -0.00
     2   6    -0.02  -0.08  -0.05     0.00   0.01   0.00     0.11   0.02  -0.02
     3   6     0.09   0.07   0.06     0.09  -0.06  -0.10    -0.10  -0.02   0.11
     4   6     0.11  -0.05   0.01     0.07  -0.01   0.04    -0.10   0.00  -0.01
     5   6     0.03  -0.01  -0.08     0.02   0.05   0.02    -0.12   0.00  -0.09
     6   6    -0.08   0.08   0.06    -0.02  -0.04  -0.02     0.05   0.05  -0.04
     7   8    -0.04  -0.05  -0.00    -0.03  -0.00   0.02     0.07   0.04  -0.04
     8   6     0.04  -0.17   0.04    -0.02   0.09  -0.02     0.04   0.01  -0.01
     9   6    -0.12   0.04   0.01    -0.08  -0.06  -0.07    -0.02   0.01  -0.07
    10   6    -0.01   0.18   0.05    -0.04   0.03  -0.06     0.04   0.00  -0.03
    11   6    -0.01   0.01   0.01    -0.01  -0.00  -0.03     0.04  -0.08   0.14
    12   1    -0.31   0.01   0.13    -0.38  -0.05   0.13    -0.35  -0.01   0.14
    13   1     0.09  -0.04   0.15     0.21  -0.28   0.07     0.30  -0.12   0.15
    14   1     0.17   0.15   0.09     0.18  -0.02  -0.07    -0.16  -0.04   0.10
    15   1    -0.08   0.33   0.21    -0.16   0.33   0.27    -0.19   0.11   0.15
    16   1     0.12  -0.02   0.15     0.11  -0.38   0.16     0.38  -0.11   0.02
    17   1     0.02   0.05  -0.01     0.02  -0.01   0.14    -0.02  -0.01   0.01
    18   1    -0.01   0.07  -0.14     0.02  -0.01   0.14    -0.04  -0.00  -0.10
    19   1    -0.02   0.07  -0.26     0.02  -0.01   0.15    -0.01  -0.01   0.11
    20   1     0.03  -0.08   0.06    -0.03   0.08  -0.02    -0.10  -0.02   0.02
    21   1     0.07  -0.24   0.10    -0.04   0.12  -0.04    -0.12   0.21  -0.04
    22   1     0.06  -0.20   0.10    -0.03   0.08  -0.03    -0.02  -0.24   0.07
    23   1     0.22  -0.06  -0.01     0.06   0.15   0.13    -0.01  -0.06  -0.05
    24   1     0.01  -0.02  -0.08     0.03  -0.09  -0.06    -0.25   0.06  -0.05
    25   1     0.02   0.02  -0.15     0.04  -0.03   0.12     0.01  -0.07   0.09
    26   1     0.12  -0.17   0.19    -0.01   0.09  -0.07     0.03  -0.11   0.16
    27   1     0.03  -0.03  -0.17    -0.01   0.10  -0.05     0.03  -0.15   0.21
                     22                     23                     24
                      A                      A                      A
 Frequencies --    827.1019               863.7208               881.4980
 Red. masses --      2.4044                 1.9938                 1.9120
 Frc consts  --      0.9691                 0.8763                 0.8753
 IR Inten    --      2.3576                 0.2826                 0.3329
 RamAct Fr= 1--      9.5242                 3.6769                 5.5743
  Dep-P Fr= 1--      0.1198                 0.2138                 0.7500
  Dep-U Fr= 1--      0.2140                 0.3523                 0.8571
 Alpha2 Fr= 1--      0.1588                 0.0481                 0.0000
 Beta2  Fr= 1--      0.3397                 0.2159                 0.7963
 AlphaG Fr= 1--      0.2832                -0.3232                 0.0005
 Gamma2 Fr= 1--     -1.3961                 0.3461                -0.8199
 Delta2 Fr= 1--      1.0367                -0.7955                 0.8911
 Raman1 Fr= 1--      38.097                 14.708                 22.297
 ROA1   Fr= 1--    -100.853                  7.766                -50.197
 CID1   Fr= 1--      -2.647                  0.528                 -2.251
 Raman2 Fr= 1--       4.076                  2.591                  9.556
 ROA2   Fr= 1--     -41.801                 14.670                -26.808
 CID2   Fr= 1--     -10.255                  5.662                 -2.805
 Raman3 Fr= 1--       8.152                  5.182                 19.112
 ROA3   Fr= 1--    -100.853                  7.766                -50.197
 CID3   Fr= 1--     -12.372                  1.499                 -2.626
 RC180  Fr= 1--      -0.572                 -0.295                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.00     0.04  -0.01   0.04    -0.04   0.00  -0.02
     2   6    -0.09  -0.01   0.02     0.08  -0.02  -0.04    -0.09  -0.01   0.02
     3   6     0.07  -0.02  -0.10     0.03   0.11  -0.03     0.00   0.00  -0.01
     4   6     0.02  -0.08   0.05     0.03   0.08   0.11    -0.00   0.06   0.05
     5   6    -0.12   0.09  -0.07     0.02  -0.08  -0.09     0.01  -0.06  -0.04
     6   6     0.00   0.04  -0.09    -0.02   0.02  -0.02    -0.00   0.00  -0.00
     7   8     0.06   0.04  -0.04     0.01   0.00  -0.01     0.00  -0.00  -0.00
     8   6    -0.04  -0.01   0.01     0.01   0.04  -0.02    -0.04  -0.02   0.01
     9   6     0.04   0.00   0.07    -0.05  -0.10   0.01     0.15   0.11   0.01
    10   6    -0.00   0.05   0.00    -0.09  -0.05   0.00    -0.02  -0.11  -0.09
    11   6     0.02  -0.11   0.15    -0.02   0.01   0.05    -0.01   0.02   0.02
    12   1     0.28   0.05  -0.08     0.16  -0.09  -0.13    -0.09   0.21   0.21
    13   1    -0.19   0.05  -0.12    -0.25  -0.03  -0.13     0.33   0.08   0.16
    14   1     0.23   0.04  -0.06     0.17   0.15  -0.01     0.01   0.11   0.04
    15   1     0.22   0.09  -0.05     0.10   0.01  -0.02    -0.16   0.13   0.20
    16   1    -0.26  -0.00   0.04    -0.30  -0.11   0.04    -0.04  -0.45   0.09
    17   1     0.01  -0.00  -0.02    -0.05  -0.00   0.14     0.06   0.01  -0.08
    18   1     0.03  -0.00   0.08    -0.08   0.01  -0.17     0.08  -0.00   0.18
    19   1     0.01   0.00  -0.08    -0.04   0.01   0.21     0.03  -0.01  -0.20
    20   1     0.09   0.02  -0.01    -0.04   0.09  -0.01     0.09  -0.00  -0.01
    21   1     0.11  -0.19   0.04    -0.05   0.11  -0.01     0.11  -0.22   0.04
    22   1     0.01   0.21  -0.05    -0.00  -0.06   0.02     0.01   0.24  -0.06
    23   1     0.05   0.15   0.18     0.12  -0.33  -0.15     0.06  -0.19  -0.11
    24   1    -0.32  -0.19  -0.22    -0.18   0.40   0.22    -0.06   0.23   0.14
    25   1     0.11  -0.16   0.32     0.03   0.01  -0.11    -0.00   0.02  -0.09
    26   1     0.07  -0.04   0.16     0.08  -0.16   0.21     0.03  -0.08   0.09
    27   1     0.02  -0.01   0.13     0.02  -0.06  -0.08     0.01  -0.04  -0.04
                     25                     26                     27
                      A                      A                      A
 Frequencies --    913.0893               952.1969               963.7852
 Red. masses --      1.9413                 1.9210                 1.5680
 Frc consts  --      0.9536                 1.0262                 0.8581
 IR Inten    --      1.1701                 1.7604                 1.2755
 RamAct Fr= 1--     20.3122                 3.9084                 2.2513
  Dep-P Fr= 1--      0.4235                 0.5034                 0.6683
  Dep-U Fr= 1--      0.5950                 0.6697                 0.8012
 Alpha2 Fr= 1--      0.1380                 0.0190                 0.0033
 Beta2  Fr= 1--      2.0144                 0.4362                 0.3006
 AlphaG Fr= 1--     -0.2954                -0.0082                 0.0154
 Gamma2 Fr= 1--      0.0395                -1.1806                -1.0974
 Delta2 Fr= 1--     -0.1414                -1.2776                -0.2244
 Raman1 Fr= 1--      81.249                 15.634                  9.005
 ROA1   Fr= 1--      -0.733               -154.219               -112.533
 CID1   Fr= 1--      -0.009                 -9.864                -12.496
 Raman2 Fr= 1--      24.172                  5.235                  3.607
 ROA2   Fr= 1--       2.078                -18.113                -24.543
 CID2   Fr= 1--       0.086                 -3.460                 -6.803
 Raman3 Fr= 1--      48.345                 10.469                  7.215
 ROA3   Fr= 1--      -0.733               -154.219               -112.533
 CID3   Fr= 1--      -0.015                -14.730                -15.597
 RC180  Fr= 1--       0.190                  0.339                  0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.14    -0.01   0.07   0.05    -0.01   0.06   0.06
     2   6    -0.06  -0.01  -0.09    -0.01   0.08  -0.03    -0.00   0.02  -0.06
     3   6     0.05  -0.05  -0.07     0.02   0.00   0.00    -0.03   0.06   0.03
     4   6    -0.03   0.05   0.02    -0.03   0.01  -0.01     0.03  -0.04  -0.00
     5   6    -0.01  -0.05  -0.03    -0.01  -0.01  -0.00     0.01   0.03   0.02
     6   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8     0.01   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.01  -0.04  -0.02     0.01  -0.10  -0.02     0.02  -0.06  -0.07
     9   6    -0.06   0.10  -0.03     0.13  -0.07  -0.08    -0.07   0.03   0.03
    10   6     0.10   0.03   0.06    -0.12   0.09   0.07     0.04  -0.10  -0.06
    11   6    -0.00   0.01   0.02     0.01   0.00   0.00    -0.01  -0.01  -0.01
    12   1    -0.20  -0.18  -0.04     0.03  -0.23  -0.07    -0.00   0.03  -0.01
    13   1     0.07   0.30   0.21     0.27  -0.29  -0.09    -0.17   0.27   0.08
    14   1     0.08  -0.33  -0.21     0.01  -0.11  -0.06     0.01   0.24   0.12
    15   1     0.04  -0.22  -0.15    -0.28  -0.04   0.01     0.24   0.05   0.01
    16   1     0.16   0.34  -0.11    -0.28   0.17   0.04     0.06  -0.23   0.01
    17   1     0.09   0.02   0.24    -0.03  -0.06  -0.38    -0.02  -0.05  -0.30
    18   1     0.07   0.03   0.22     0.04  -0.15   0.25     0.04  -0.14   0.26
    19   1     0.02   0.03  -0.04     0.09  -0.15   0.23     0.09  -0.13   0.21
    20   1    -0.01   0.14  -0.01    -0.02   0.16   0.01    -0.11   0.37  -0.01
    21   1     0.05  -0.16   0.08     0.05  -0.21   0.15     0.00  -0.13   0.19
    22   1     0.04  -0.02   0.05     0.08  -0.18   0.15     0.10  -0.29   0.22
    23   1    -0.06  -0.15  -0.10    -0.05  -0.01  -0.03     0.05   0.03   0.03
    24   1    -0.10   0.21   0.14    -0.01   0.04   0.02     0.05  -0.17  -0.11
    25   1     0.00   0.01  -0.06    -0.02   0.01  -0.02     0.02  -0.02   0.05
    26   1     0.02  -0.06   0.07    -0.01  -0.00  -0.01     0.01   0.03  -0.01
    27   1     0.01  -0.04  -0.02     0.00  -0.02   0.03    -0.01   0.04  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --    971.5727               998.4452              1009.4657
 Red. masses --      1.6844                 1.6965                 1.4519
 Frc consts  --      0.9368                 0.9964                 0.8717
 IR Inten    --      0.9153                12.9928                 7.1808
 RamAct Fr= 1--      9.4922                43.9705                 8.7104
  Dep-P Fr= 1--      0.7498                 0.2854                 0.4016
  Dep-U Fr= 1--      0.8570                 0.4441                 0.5731
 Alpha2 Fr= 1--      0.0000                 0.4709                 0.0641
 Beta2  Fr= 1--      1.3558                 3.2543                 0.8320
 AlphaG Fr= 1--      0.0047                -0.0247                 0.1468
 Gamma2 Fr= 1--      0.5179                 3.2042                -1.1608
 Delta2 Fr= 1--     -0.6849                 0.8044                -1.0429
 Raman1 Fr= 1--      37.969                175.882                 34.842
 ROA1   Fr= 1--      27.803                333.342               -144.810
 CID1   Fr= 1--       0.732                  1.895                 -4.156
 Raman2 Fr= 1--      16.269                 39.051                  9.984
 ROA2   Fr= 1--      17.910                 70.465                -19.516
 CID2   Fr= 1--       1.101                  1.804                 -1.955
 Raman3 Fr= 1--      32.539                 78.102                 19.968
 ROA3   Fr= 1--      27.803                333.342               -144.810
 CID3   Fr= 1--       0.854                  4.268                 -7.252
 RC180  Fr= 1--       0.714                 -0.112                  0.146
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.08   0.05     0.04  -0.05   0.03    -0.08   0.01  -0.01
     2   6     0.01  -0.04  -0.06     0.01  -0.09  -0.05    -0.01   0.02   0.03
     3   6     0.00   0.13   0.04    -0.01  -0.01   0.06     0.03  -0.06  -0.03
     4   6     0.01  -0.05  -0.03    -0.02  -0.01  -0.01    -0.01   0.02   0.02
     5   6    -0.01   0.04   0.03    -0.06   0.03  -0.04    -0.05   0.00  -0.06
     6   6    -0.01   0.01  -0.01     0.02  -0.02   0.04     0.01  -0.02   0.03
     7   8     0.01   0.00  -0.00    -0.03  -0.02   0.03    -0.03  -0.02   0.03
     8   6     0.02   0.03  -0.01    -0.06   0.04  -0.09     0.08   0.01   0.02
     9   6     0.08   0.01  -0.07     0.05  -0.00   0.04    -0.02  -0.01   0.01
    10   6    -0.07  -0.05   0.04    -0.02   0.06  -0.01     0.01   0.02  -0.02
    11   6    -0.01  -0.02  -0.00     0.09   0.03  -0.03     0.09   0.03  -0.01
    12   1    -0.09  -0.37  -0.10     0.13   0.18   0.06     0.03  -0.14  -0.08
    13   1     0.23   0.24   0.21    -0.02  -0.04  -0.06    -0.06   0.05   0.01
    14   1    -0.02   0.23   0.09     0.05   0.01   0.07     0.10   0.10   0.05
    15   1    -0.03  -0.09  -0.02    -0.05   0.11   0.05     0.21   0.09  -0.02
    16   1    -0.28   0.01   0.02    -0.00   0.00   0.02    -0.17  -0.08   0.04
    17   1     0.14   0.06   0.39    -0.02   0.01   0.30     0.12   0.02  -0.13
    18   1     0.07   0.14   0.08    -0.06   0.06  -0.20     0.12  -0.01   0.33
    19   1    -0.03   0.12  -0.33    -0.06   0.06   0.06     0.05  -0.01  -0.30
    20   1    -0.05  -0.02  -0.00    -0.01   0.47  -0.06    -0.11  -0.18   0.04
    21   1    -0.05   0.13  -0.05     0.09  -0.24   0.17    -0.15   0.32  -0.10
    22   1    -0.02  -0.08  -0.01     0.07   0.10   0.10    -0.04  -0.26   0.01
    23   1    -0.05   0.03   0.02     0.10   0.03  -0.01     0.09   0.00  -0.01
    24   1     0.02  -0.26  -0.15     0.02  -0.01  -0.07    -0.05   0.12   0.01
    25   1     0.03  -0.04   0.08    -0.20   0.12  -0.18    -0.18   0.12  -0.19
    26   1     0.01   0.03  -0.01    -0.18   0.06  -0.24    -0.16   0.03  -0.19
    27   1    -0.01   0.05  -0.02     0.02  -0.21   0.35     0.02  -0.21   0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1024.1017              1027.2323              1050.5931
 Red. masses --      1.1525                 1.6953                 1.8800
 Frc consts  --      0.7122                 1.0540                 1.2225
 IR Inten    --     33.0745                 4.5664                 0.7627
 RamAct Fr= 1--      1.7346                 9.2249                 1.5743
  Dep-P Fr= 1--      0.7144                 0.5901                 0.7108
  Dep-U Fr= 1--      0.8334                 0.7422                 0.8310
 Alpha2 Fr= 1--      0.0011                 0.0275                 0.0011
 Beta2  Fr= 1--      0.2409                 1.1412                 0.2180
 AlphaG Fr= 1--     -0.1126                -0.2465                -0.0101
 Gamma2 Fr= 1--      0.0900                -1.9109                -0.0694
 Delta2 Fr= 1--      0.7426                -0.9541                -0.0183
 Raman1 Fr= 1--       6.939                 36.900                  6.297
 ROA1   Fr= 1--      32.398               -213.975                 -7.246
 CID1   Fr= 1--       4.669                 -5.799                 -1.151
 Raman2 Fr= 1--       2.891                 13.694                  2.616
 ROA2   Fr= 1--      -3.782                -38.228                 -1.519
 CID2   Fr= 1--      -1.308                 -2.792                 -0.580
 Raman3 Fr= 1--       5.783                 27.388                  5.233
 ROA3   Fr= 1--      32.398               -213.975                 -7.246
 CID3   Fr= 1--       5.603                 -7.813                 -1.385
 RC180  Fr= 1--       0.667                  0.484                  0.662
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.01   0.00     0.06   0.04   0.00     0.00   0.00  -0.00
     2   6     0.00  -0.02  -0.00    -0.00   0.07  -0.01    -0.00  -0.00   0.00
     3   6    -0.01   0.01   0.02     0.02   0.10  -0.01     0.00  -0.01  -0.00
     4   6     0.01  -0.07  -0.04     0.03  -0.06  -0.00    -0.01   0.04   0.03
     5   6     0.02  -0.05  -0.02    -0.04   0.02  -0.04     0.01  -0.06  -0.04
     6   6    -0.01   0.03   0.01    -0.00   0.00   0.02    -0.04   0.17   0.11
     7   8     0.01  -0.00  -0.01    -0.02  -0.02   0.02     0.01  -0.03  -0.02
     8   6     0.01   0.01  -0.02    -0.04  -0.05   0.09     0.00   0.00   0.00
     9   6     0.01  -0.00   0.01    -0.05   0.01  -0.06    -0.00  -0.00   0.00
    10   6    -0.01   0.01  -0.01    -0.00  -0.09   0.01     0.00   0.00   0.00
    11   6    -0.01  -0.02  -0.01     0.07   0.01  -0.01     0.03  -0.13  -0.08
    12   1     0.03   0.02   0.01    -0.17  -0.18  -0.05     0.00   0.00   0.00
    13   1    -0.00   0.01  -0.00     0.05   0.17   0.13    -0.00  -0.01  -0.01
    14   1    -0.04   0.00   0.01     0.15  -0.02  -0.07     0.00   0.01   0.00
    15   1     0.03   0.04   0.01    -0.01  -0.14  -0.03    -0.01  -0.00  -0.00
    16   1     0.00  -0.01   0.00     0.03  -0.03  -0.03    -0.01   0.00   0.00
    17   1     0.03   0.01   0.03    -0.13  -0.03  -0.09     0.00   0.00   0.00
    18   1     0.03   0.01   0.06    -0.09  -0.05  -0.18    -0.00   0.00  -0.01
    19   1     0.00   0.01  -0.08    -0.01  -0.03   0.33     0.00  -0.00   0.00
    20   1    -0.04   0.09  -0.01     0.19  -0.34   0.02    -0.00  -0.01   0.00
    21   1    -0.02   0.02   0.03     0.12  -0.18  -0.09    -0.00   0.01  -0.00
    22   1     0.02  -0.07   0.04    -0.04   0.31  -0.17    -0.00   0.00  -0.00
    23   1    -0.11   0.59   0.37     0.02   0.18   0.14     0.05  -0.25  -0.16
    24   1    -0.10   0.55   0.35    -0.10   0.10   0.01    -0.00   0.01   0.01
    25   1     0.03  -0.04   0.09    -0.14   0.07  -0.08     0.03  -0.18   0.57
    26   1     0.02   0.04  -0.01    -0.14   0.06  -0.18    -0.08   0.42  -0.42
    27   1    -0.01   0.07  -0.03     0.01  -0.14   0.28    -0.06   0.27   0.17
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1098.3671              1159.2260              1183.7429
 Red. masses --      1.8148                 2.0627                 1.8543
 Frc consts  --      1.2900                 1.6331                 1.5309
 IR Inten    --     10.9360                 6.2171                15.5323
 RamAct Fr= 1--     54.2167                61.6794                28.0078
  Dep-P Fr= 1--      0.2455                 0.3271                 0.3657
  Dep-U Fr= 1--      0.3942                 0.4929                 0.5356
 Alpha2 Fr= 1--      0.6507                 0.5824                 0.2335
 Beta2  Fr= 1--      3.5623                 5.0674                 2.5001
 AlphaG Fr= 1--      0.2959                -0.4192                -0.1760
 Gamma2 Fr= 1--      1.0067                -5.9384                 0.4207
 Delta2 Fr= 1--      3.9295                -0.6000                 0.8226
 Raman1 Fr= 1--     216.867                246.718                112.031
 ROA1   Fr= 1--     222.386               -589.285                 66.708
 CID1   Fr= 1--       1.025                 -2.388                  0.595
 Raman2 Fr= 1--      42.748                 60.808                 30.002
 ROA2   Fr= 1--      -7.275               -137.722                  3.515
 CID2   Fr= 1--      -0.170                 -2.265                  0.117
 Raman3 Fr= 1--      85.496                121.617                 60.003
 ROA3   Fr= 1--     222.386               -589.285                 66.708
 CID3   Fr= 1--       2.601                 -4.845                  1.112
 RC180  Fr= 1--      -0.212                 -0.014                  0.071
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.01  -0.02     0.01   0.04  -0.03    -0.10   0.01   0.03
     2   6     0.02  -0.04   0.04     0.06  -0.06   0.06     0.18   0.00  -0.07
     3   6     0.16   0.13  -0.03     0.17  -0.11   0.06    -0.03   0.01   0.02
     4   6    -0.03  -0.00  -0.05    -0.12   0.06  -0.09    -0.01   0.00   0.00
     5   6    -0.03  -0.00   0.01    -0.03  -0.03   0.02    -0.01   0.00   0.00
     6   6    -0.02   0.01  -0.02     0.01  -0.01  -0.00     0.01  -0.00   0.01
     7   8     0.00  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00  -0.00
     8   6     0.01   0.03  -0.03    -0.06   0.03  -0.01    -0.07  -0.00   0.04
     9   6    -0.04  -0.02   0.03    -0.05  -0.00  -0.05     0.01  -0.10   0.03
    10   6    -0.01  -0.09   0.05     0.01   0.02   0.02    -0.09   0.04  -0.03
    11   6     0.03  -0.00   0.01    -0.02  -0.00   0.00    -0.01  -0.00  -0.00
    12   1    -0.05   0.41   0.20    -0.09  -0.24  -0.11     0.16   0.03  -0.03
    13   1    -0.08  -0.23  -0.13     0.00   0.23   0.14    -0.16   0.31   0.10
    14   1     0.10  -0.01  -0.10     0.12   0.55   0.40     0.04  -0.16  -0.07
    15   1    -0.44  -0.31   0.01     0.10   0.01  -0.03     0.03   0.16   0.03
    16   1     0.25   0.11  -0.07    -0.19  -0.02   0.05     0.48   0.06  -0.05
    17   1     0.06   0.01  -0.10    -0.04  -0.01  -0.15     0.19   0.03  -0.11
    18   1     0.06  -0.02   0.16    -0.02  -0.06  -0.03     0.12   0.01   0.37
    19   1     0.04  -0.03  -0.17     0.03  -0.05   0.09     0.09  -0.08  -0.24
    20   1    -0.06   0.12  -0.01     0.06   0.10  -0.02     0.19  -0.07  -0.01
    21   1    -0.04   0.08   0.02     0.06  -0.12   0.02     0.11  -0.17  -0.07
    22   1     0.02  -0.08   0.05     0.01   0.24  -0.02    -0.01   0.31  -0.08
    23   1    -0.29  -0.02  -0.04    -0.24   0.04  -0.09     0.05  -0.02  -0.02
    24   1    -0.15  -0.07  -0.02     0.09   0.07   0.07     0.04  -0.01  -0.01
    25   1    -0.04   0.02  -0.01     0.03  -0.02   0.02     0.01  -0.01   0.00
    26   1    -0.04  -0.00  -0.04     0.03  -0.02   0.04     0.01   0.01   0.01
    27   1     0.01  -0.05   0.10    -0.00   0.04  -0.07    -0.00   0.02  -0.03
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.0085              1224.8828              1246.2475
 Red. masses --      1.7103                 1.4930                 1.6681
 Frc consts  --      1.4511                 1.3197                 1.5265
 IR Inten    --      0.8222                 9.6472                16.3157
 RamAct Fr= 1--     35.5458                 9.5237                31.6559
  Dep-P Fr= 1--      0.3457                 0.5205                 0.3385
  Dep-U Fr= 1--      0.5138                 0.6846                 0.5058
 Alpha2 Fr= 1--      0.3164                 0.0426                 0.2884
 Beta2  Fr= 1--      3.0439                 1.0867                 2.6686
 AlphaG Fr= 1--      0.1496                -0.0905                -0.1300
 Gamma2 Fr= 1--      2.5284                -3.6908                -2.4881
 Delta2 Fr= 1--     -0.9781                -2.6187                -3.2150
 Raman1 Fr= 1--     142.183                 38.095                126.624
 ROA1   Fr= 1--     211.432               -438.112               -341.733
 CID1   Fr= 1--       1.487                -11.501                 -2.699
 Raman2 Fr= 1--      36.527                 13.041                 32.023
 ROA2   Fr= 1--      68.507                -67.629                -33.994
 CID2   Fr= 1--       1.876                 -5.186                 -1.062
 Raman3 Fr= 1--      73.054                 26.081                 64.046
 ROA3   Fr= 1--     211.432               -438.112               -341.733
 CID3   Fr= 1--       2.894                -16.798                 -5.336
 RC180  Fr= 1--       0.028                  0.369                  0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02   0.02     0.04   0.03  -0.01     0.01  -0.07  -0.02
     2   6    -0.10   0.05  -0.07    -0.11  -0.07   0.01     0.01   0.16   0.08
     3   6     0.06   0.02   0.09     0.02  -0.02  -0.03     0.03  -0.03  -0.03
     4   6    -0.11  -0.00  -0.06     0.04   0.01   0.01     0.01   0.01  -0.00
     5   6    -0.04  -0.00   0.00     0.03   0.00   0.00     0.02  -0.00   0.01
     6   6     0.03  -0.01   0.03    -0.03   0.01  -0.03    -0.03   0.01  -0.03
     7   8     0.02   0.02  -0.02    -0.01  -0.01   0.01    -0.00  -0.00   0.01
     8   6     0.05  -0.01   0.03     0.05   0.03   0.00    -0.01  -0.05  -0.04
     9   6     0.03  -0.02   0.06     0.06  -0.07   0.01    -0.01   0.05   0.07
    10   6    -0.02  -0.00  -0.06    -0.04   0.05  -0.02    -0.07  -0.04  -0.04
    11   6    -0.03  -0.00  -0.01     0.02   0.00   0.01     0.02   0.00   0.01
    12   1     0.14   0.00  -0.01     0.15  -0.08  -0.04     0.11  -0.54  -0.24
    13   1    -0.12   0.08  -0.01    -0.10   0.57   0.24    -0.07  -0.18  -0.13
    14   1     0.69  -0.26  -0.05    -0.25   0.12   0.03    -0.01   0.19   0.08
    15   1    -0.12   0.11   0.08    -0.33   0.05   0.08    -0.09   0.02   0.03
    16   1     0.12  -0.14   0.01     0.37   0.06  -0.04     0.51  -0.03  -0.07
    17   1    -0.04  -0.00   0.10    -0.12  -0.02  -0.06     0.03   0.01   0.19
    18   1    -0.02   0.02  -0.07    -0.05  -0.08  -0.08     0.01   0.14  -0.13
    19   1    -0.03   0.03   0.07    -0.00  -0.02   0.20    -0.09   0.12  -0.14
    20   1    -0.05  -0.17   0.03    -0.11  -0.04   0.02    -0.01   0.09  -0.02
    21   1    -0.03   0.11  -0.04    -0.08   0.19  -0.03     0.03  -0.16   0.14
    22   1    -0.04  -0.16  -0.02    -0.03  -0.10  -0.04     0.07  -0.08   0.12
    23   1     0.06   0.05  -0.06    -0.13  -0.03   0.01    -0.09  -0.02  -0.01
    24   1     0.39   0.06  -0.01    -0.17  -0.02   0.01    -0.04   0.00   0.02
    25   1     0.05  -0.02   0.02    -0.03   0.01  -0.00    -0.03   0.01   0.01
    26   1     0.04   0.01   0.03    -0.02  -0.02  -0.01    -0.02  -0.03  -0.00
    27   1    -0.01   0.07  -0.11     0.01  -0.04   0.07     0.01  -0.04   0.07
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1258.3447              1275.9985              1279.1478
 Red. masses --      1.4693                 2.5264                 1.6112
 Frc consts  --      1.3707                 2.4235                 1.5532
 IR Inten    --      7.3910               127.9468                 6.1655
 RamAct Fr= 1--     35.6997                38.5900                 4.1092
  Dep-P Fr= 1--      0.3037                 0.2991                 0.7083
  Dep-U Fr= 1--      0.4659                 0.4604                 0.8293
 Alpha2 Fr= 1--      0.3621                 0.3969                 0.0030
 Beta2  Fr= 1--      2.7722                 2.9613                 0.5679
 AlphaG Fr= 1--      0.0417                 0.0996                 0.0260
 Gamma2 Fr= 1--      1.1316                 1.2675                 3.0036
 Delta2 Fr= 1--      1.3278                 0.4041                 2.2602
 Raman1 Fr= 1--     142.799                154.360                 16.437
 ROA1   Fr= 1--     151.121                134.612                360.667
 CID1   Fr= 1--       1.058                  0.872                 21.943
 Raman2 Fr= 1--      33.267                 35.536                  6.815
 ROA2   Fr= 1--      16.536                 27.187                 54.004
 CID2   Fr= 1--       0.497                  0.765                  7.924
 Raman3 Fr= 1--      66.533                 71.071                 13.630
 ROA3   Fr= 1--     151.121                134.612                360.667
 CID3   Fr= 1--       2.271                  1.894                 26.461
 RC180  Fr= 1--      -0.068                 -0.079                  0.659
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01     0.01   0.01   0.01    -0.01   0.04   0.03
     2   6    -0.03  -0.02   0.06    -0.02  -0.03  -0.01     0.01  -0.10  -0.12
     3   6    -0.01  -0.01  -0.06     0.00  -0.00  -0.06    -0.05  -0.01  -0.05
     4   6    -0.03  -0.02   0.04     0.01  -0.01   0.02    -0.01  -0.03   0.04
     5   6    -0.01  -0.00  -0.00    -0.08   0.04  -0.09    -0.01  -0.00  -0.00
     6   6    -0.02   0.01  -0.02     0.21  -0.09   0.22    -0.04   0.02  -0.04
     7   8     0.01   0.00  -0.00    -0.03   0.01  -0.03     0.02   0.00   0.00
     8   6     0.02   0.00  -0.02     0.01   0.01   0.00    -0.00   0.03   0.04
     9   6     0.04  -0.01  -0.07     0.02   0.04   0.02     0.00   0.09   0.07
    10   6    -0.11  -0.04   0.09    -0.04  -0.02   0.04     0.03  -0.01   0.02
    11   6     0.00   0.00   0.00    -0.08   0.00  -0.03     0.01   0.00   0.00
    12   1    -0.13   0.27   0.16     0.02  -0.09  -0.04     0.12  -0.22  -0.13
    13   1     0.16   0.03   0.06     0.04  -0.14  -0.06     0.03  -0.34  -0.16
    14   1     0.19   0.18   0.04     0.01   0.30   0.08    -0.02   0.40   0.15
    15   1     0.52  -0.00  -0.12    -0.04  -0.07  -0.01    -0.36  -0.11   0.06
    16   1     0.39   0.24  -0.08     0.29   0.13  -0.05     0.12   0.11  -0.04
    17   1    -0.04  -0.01  -0.02    -0.03  -0.01  -0.01    -0.00  -0.00  -0.09
    18   1    -0.02  -0.01  -0.06    -0.02  -0.02  -0.01    -0.00  -0.09   0.11
    19   1    -0.01   0.01   0.02     0.01  -0.01   0.04     0.07  -0.09   0.08
    20   1    -0.06   0.06  -0.00    -0.04  -0.01   0.01     0.02  -0.11   0.02
    21   1    -0.04   0.06   0.03    -0.02   0.05  -0.01     0.02   0.06  -0.12
    22   1     0.02  -0.05   0.03    -0.02  -0.02  -0.03    -0.08   0.06  -0.12
    23   1     0.24   0.02   0.03     0.13   0.02   0.02     0.17   0.03   0.06
    24   1     0.38   0.08   0.01    -0.50  -0.03  -0.09     0.46   0.10   0.01
    25   1     0.00  -0.00   0.02     0.11  -0.02  -0.18    -0.00  -0.00   0.04
    26   1     0.00  -0.02   0.01     0.06   0.20  -0.05     0.01  -0.04   0.02
    27   1    -0.01  -0.04   0.05    -0.01   0.26  -0.42    -0.01  -0.05   0.08
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1288.2398              1316.1144              1337.5015
 Red. masses --      1.7199                 1.8053                 1.3493
 Frc consts  --      1.6817                 1.8424                 1.4221
 IR Inten    --      8.1760                 7.2041                 0.3968
 RamAct Fr= 1--      2.9955                 1.2150                32.8347
  Dep-P Fr= 1--      0.7338                 0.7497                 0.2739
  Dep-U Fr= 1--      0.8465                 0.8570                 0.4300
 Alpha2 Fr= 1--      0.0008                 0.0000                 0.3636
 Beta2  Fr= 1--      0.4226                 0.1735                 2.3532
 AlphaG Fr= 1--      0.0107                -0.0014                 0.0483
 Gamma2 Fr= 1--     -1.3256                 1.2924                -0.5587
 Delta2 Fr= 1--     -1.9931                 1.1618                 0.1026
 Raman1 Fr= 1--      11.982                  4.860                131.339
 ROA1   Fr= 1--    -191.032                161.250                -50.353
 CID1   Fr= 1--     -15.943                 33.180                 -0.383
 Raman2 Fr= 1--       5.071                  2.082                 28.239
 ROA2   Fr= 1--     -15.869                 21.723                -14.229
 CID2   Fr= 1--      -3.129                 10.432                 -0.504
 Raman3 Fr= 1--      10.142                  4.165                 56.477
 ROA3   Fr= 1--    -191.032                161.250                -50.353
 CID3   Fr= 1--     -18.835                 38.718                 -0.892
 RC180  Fr= 1--       0.693                  0.714                 -0.140
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.02    -0.00   0.05  -0.02    -0.00   0.00   0.01
     2   6    -0.04  -0.08  -0.10     0.03  -0.15   0.16     0.00  -0.02   0.01
     3   6     0.04  -0.01   0.09     0.01   0.08  -0.00    -0.02   0.01  -0.02
     4   6     0.02   0.04  -0.06    -0.01  -0.02   0.03    -0.01   0.05  -0.09
     5   6     0.06  -0.01   0.03    -0.04   0.01  -0.02    -0.01  -0.07   0.11
     6   6    -0.03   0.02  -0.03     0.01  -0.01   0.02    -0.02   0.01  -0.03
     7   8    -0.01  -0.01   0.01     0.01   0.01  -0.01     0.00  -0.00   0.01
     8   6     0.01   0.03   0.04    -0.01   0.03  -0.04     0.00   0.00  -0.00
     9   6     0.02   0.09   0.03    -0.01   0.07   0.00    -0.00   0.00   0.00
    10   6    -0.10  -0.02  -0.01    -0.02   0.00  -0.04     0.01  -0.00   0.01
    11   6     0.02  -0.00   0.01    -0.01  -0.00  -0.00    -0.00   0.01  -0.01
    12   1     0.03  -0.10  -0.05     0.01  -0.51  -0.23     0.01  -0.03  -0.02
    13   1     0.09  -0.34  -0.16     0.07   0.03   0.05     0.01   0.01   0.01
    14   1    -0.03  -0.18  -0.01     0.01  -0.52  -0.30     0.16   0.05  -0.00
    15   1     0.54   0.19  -0.05     0.02   0.09   0.03    -0.11  -0.02   0.03
    16   1     0.19   0.01  -0.03     0.03  -0.06  -0.01     0.00   0.04  -0.01
    17   1    -0.05  -0.01  -0.06    -0.05  -0.03  -0.25     0.02  -0.01  -0.06
    18   1    -0.02  -0.10   0.04    -0.08  -0.10  -0.09    -0.03   0.02  -0.04
    19   1     0.05  -0.06   0.11     0.08  -0.05  -0.07     0.02  -0.01  -0.03
    20   1    -0.00  -0.13   0.02    -0.05   0.18  -0.02    -0.01   0.02   0.00
    21   1     0.01   0.07  -0.10    -0.07   0.08   0.06    -0.01   0.01   0.00
    22   1    -0.08  -0.01  -0.09     0.05   0.07   0.04     0.00   0.01  -0.00
    23   1    -0.29  -0.03  -0.06     0.11  -0.02   0.01     0.80   0.22  -0.10
    24   1    -0.42  -0.12   0.02     0.22   0.03  -0.03    -0.41  -0.15   0.11
    25   1    -0.04   0.01   0.02     0.02  -0.01  -0.01     0.02  -0.01   0.07
    26   1    -0.03  -0.03  -0.01     0.02   0.02   0.00     0.03  -0.05   0.04
    27   1     0.01  -0.03   0.05    -0.01   0.02  -0.02    -0.02  -0.06   0.09
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1387.2563              1391.4858              1405.5931
 Red. masses --      1.4413                 1.3678                 1.3103
 Frc consts  --      1.6343                 1.5604                 1.5252
 IR Inten    --     36.1194                 9.5988                11.8555
 RamAct Fr= 1--      1.0972                 5.2725                 0.7497
  Dep-P Fr= 1--      0.1133                 0.3919                 0.1673
  Dep-U Fr= 1--      0.2035                 0.5631                 0.2867
 Alpha2 Fr= 1--      0.0186                 0.0402                 0.0111
 Beta2  Fr= 1--      0.0372                 0.4948                 0.0358
 AlphaG Fr= 1--      0.0071                 0.0144                -0.0161
 Gamma2 Fr= 1--     -0.1887                -0.6961                 0.0917
 Delta2 Fr= 1--     -0.0443                -0.0463                 0.1229
 Raman1 Fr= 1--       4.389                 21.090                  2.999
 ROA1   Fr= 1--     -19.532                -68.308                 12.740
 CID1   Fr= 1--      -4.451                 -3.239                  4.248
 Raman2 Fr= 1--       0.447                  5.938                  0.430
 ROA2   Fr= 1--      -4.174                -16.336                  1.218
 CID2   Fr= 1--      -9.346                 -2.751                  2.835
 Raman3 Fr= 1--       0.893                 11.876                  0.860
 ROA3   Fr= 1--     -19.532                -68.308                 12.740
 CID3   Fr= 1--     -21.867                 -5.752                 14.818
 RC180  Fr= 1--      -0.593                  0.126                 -0.427
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01    -0.00   0.01   0.02     0.02  -0.01   0.09
     2   6     0.01  -0.02   0.03     0.02  -0.02   0.03    -0.01   0.03  -0.04
     3   6    -0.09  -0.02  -0.01    -0.11  -0.02  -0.01     0.03  -0.00   0.01
     4   6     0.01   0.01  -0.01     0.02   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.07   0.01   0.01     0.07   0.03  -0.03    -0.01  -0.00   0.00
     6   6    -0.04   0.02  -0.05     0.02  -0.01   0.02    -0.00  -0.00  -0.00
     7   8    -0.00  -0.01   0.01    -0.02  -0.01   0.00     0.00   0.00  -0.00
     8   6    -0.00  -0.00  -0.01    -0.00  -0.01  -0.01     0.03  -0.11   0.03
     9   6     0.00   0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01   0.01
    10   6     0.02   0.00   0.01     0.02   0.00   0.02    -0.01   0.00  -0.00
    11   6     0.03  -0.06   0.11    -0.01   0.05  -0.08    -0.00  -0.00   0.00
    12   1     0.03  -0.01  -0.03     0.04  -0.01  -0.03    -0.01   0.04   0.03
    13   1     0.06   0.01   0.05     0.07   0.01   0.05    -0.04  -0.02  -0.03
    14   1     0.49   0.07   0.04     0.59   0.09   0.05    -0.16   0.02   0.02
    15   1    -0.09  -0.03   0.03    -0.10  -0.04   0.02     0.03  -0.01  -0.03
    16   1    -0.01   0.05  -0.01     0.00   0.06  -0.01     0.01  -0.05   0.02
    17   1     0.01  -0.01  -0.08     0.00  -0.03  -0.11    -0.02  -0.13  -0.32
    18   1    -0.04  -0.01  -0.05    -0.06  -0.02  -0.08    -0.18   0.09  -0.31
    19   1     0.04  -0.01  -0.07     0.05  -0.00  -0.11     0.05   0.14  -0.33
    20   1     0.00   0.05  -0.00     0.00   0.07   0.00    -0.07   0.39   0.08
    21   1    -0.04   0.04   0.00    -0.06   0.06   0.00    -0.25   0.32  -0.16
    22   1     0.03   0.05   0.01     0.03   0.07   0.00     0.05   0.38  -0.22
    23   1    -0.13  -0.01  -0.01    -0.32  -0.06   0.01     0.01   0.00   0.00
    24   1    -0.11  -0.02   0.01    -0.22  -0.02  -0.04     0.05   0.01   0.00
    25   1    -0.14   0.05  -0.46     0.05  -0.02   0.37     0.00  -0.00  -0.02
    26   1    -0.20   0.34  -0.28     0.11  -0.30   0.19    -0.00   0.02  -0.01
    27   1     0.11   0.22  -0.32    -0.06  -0.16   0.24     0.00   0.01  -0.01
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.6368              1471.4374              1479.9732
 Red. masses --      1.2283                 1.0568                 1.0473
 Frc consts  --      1.4626                 1.3481                 1.3515
 IR Inten    --      3.2955                10.2988                10.6960
 RamAct Fr= 1--      1.2499                 3.3413                 3.9514
  Dep-P Fr= 1--      0.6167                 0.7463                 0.7499
  Dep-U Fr= 1--      0.7629                 0.8547                 0.8571
 Alpha2 Fr= 1--      0.0031                 0.0002                 0.0000
 Beta2  Fr= 1--      0.1589                 0.4760                 0.5644
 AlphaG Fr= 1--     -0.0075                -0.0015                 0.0010
 Gamma2 Fr= 1--     -0.1328                -0.5164                -0.2521
 Delta2 Fr= 1--      0.0376                -0.2644                -0.2207
 Raman1 Fr= 1--       5.000                 13.365                 15.806
 ROA1   Fr= 1--     -11.550                -58.035                -31.261
 CID1   Fr= 1--      -2.310                 -4.342                 -1.978
 Raman2 Fr= 1--       1.907                  5.712                  6.773
 ROA2   Fr= 1--      -3.489                -10.278                 -4.284
 CID2   Fr= 1--      -1.830                 -1.800                 -0.633
 Raman3 Fr= 1--       3.814                 11.423                 13.546
 ROA3   Fr= 1--     -11.550                -58.035                -31.261
 CID3   Fr= 1--      -3.028                 -5.080                 -2.308
 RC180  Fr= 1--       0.526                  0.709                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.10    -0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.01   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00   0.01  -0.02     0.00  -0.02  -0.01
     7   8    -0.00  -0.00   0.00    -0.02  -0.01   0.02     0.00   0.00   0.00
     8   6     0.02  -0.09   0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   6    -0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.05  -0.01  -0.01     0.01  -0.05  -0.03
    12   1     0.06  -0.02  -0.05     0.01   0.00  -0.00    -0.01  -0.00   0.01
    13   1     0.05  -0.04   0.03     0.01  -0.00   0.01    -0.01   0.00  -0.01
    14   1     0.07  -0.03  -0.01     0.03   0.00   0.01    -0.00   0.00   0.00
    15   1    -0.01   0.03   0.03    -0.00   0.01   0.01     0.00   0.01   0.01
    16   1    -0.01   0.03  -0.02    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    17   1     0.02   0.14   0.38     0.02   0.01   0.01     0.02   0.01   0.02
    18   1     0.24  -0.04   0.36    -0.01   0.00  -0.01    -0.01  -0.01  -0.01
    19   1    -0.11  -0.11   0.41     0.02  -0.02   0.00     0.02  -0.03  -0.00
    20   1    -0.05   0.33   0.05    -0.00  -0.00   0.00    -0.01  -0.01   0.00
    21   1    -0.25   0.29  -0.08    -0.00   0.00   0.01    -0.01   0.00   0.02
    22   1     0.09   0.35  -0.13     0.00   0.01   0.00     0.01   0.01   0.00
    23   1     0.01   0.00  -0.01    -0.05  -0.01  -0.00     0.00  -0.01  -0.00
    24   1    -0.02  -0.01  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
    25   1    -0.00  -0.00   0.01     0.52  -0.12  -0.33    -0.44   0.11  -0.19
    26   1    -0.00  -0.01   0.00     0.41   0.49   0.06     0.40  -0.01   0.26
    27   1    -0.00  -0.00   0.00    -0.10  -0.23   0.35    -0.12   0.61   0.37
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1483.4752              1486.8291              1493.0115
 Red. masses --      1.0697                 1.0460                 1.0651
 Frc consts  --      1.3870                 1.3624                 1.3988
 IR Inten    --      0.8346                 0.3767                 6.9142
 RamAct Fr= 1--      7.0526                 7.5815                 9.0355
  Dep-P Fr= 1--      0.6775                 0.7161                 0.7156
  Dep-U Fr= 1--      0.8077                 0.8346                 0.8342
 Alpha2 Fr= 1--      0.0090                 0.0044                 0.0054
 Beta2  Fr= 1--      0.9495                 1.0545                 1.2562
 AlphaG Fr= 1--      0.0106                 0.0109                -0.0247
 Gamma2 Fr= 1--      1.7832                -1.3480                -0.9155
 Delta2 Fr= 1--      0.3847                -0.8096                 0.6077
 Raman1 Fr= 1--      28.210                 30.326                 36.142
 ROA1   Fr= 1--     183.497               -155.310                -68.436
 CID1   Fr= 1--       6.505                 -5.121                 -1.894
 Raman2 Fr= 1--      11.393                 12.654                 15.075
 ROA2   Fr= 1--      39.719                -25.875                -26.833
 CID2   Fr= 1--       3.486                 -2.045                 -1.780
 Raman3 Fr= 1--      22.787                 25.309                 30.149
 ROA3   Fr= 1--     183.497               -155.310                -68.436
 CID3   Fr= 1--       8.053                 -6.137                 -2.270
 RC180  Fr= 1--       0.615                  0.669                  0.668
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.02  -0.00     0.03   0.00  -0.00    -0.00   0.02   0.01
     2   6    -0.00  -0.01   0.01    -0.01  -0.00   0.00    -0.01   0.00  -0.03
     3   6    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6     0.01   0.01   0.02    -0.04  -0.01   0.01    -0.01  -0.01  -0.04
     9   6    -0.05   0.00  -0.01    -0.01   0.00   0.00    -0.02   0.00   0.00
    10   6    -0.01   0.04   0.01    -0.00   0.01   0.00    -0.01   0.04   0.01
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.35   0.12  -0.20     0.07   0.02  -0.04     0.17   0.09  -0.09
    13   1     0.31  -0.08   0.26     0.06  -0.02   0.05     0.14  -0.06   0.11
    14   1     0.01  -0.02  -0.01     0.01   0.00  -0.00    -0.04   0.02   0.01
    15   1     0.02  -0.25  -0.26    -0.01  -0.07  -0.07     0.02  -0.25  -0.26
    16   1     0.10  -0.30   0.17     0.03  -0.07   0.04     0.10  -0.30   0.17
    17   1     0.13  -0.03  -0.15    -0.41  -0.09   0.02     0.02   0.05   0.12
    18   1     0.10   0.28   0.00     0.06  -0.18   0.17    -0.10  -0.17  -0.06
    19   1    -0.13   0.07   0.15    -0.14   0.26  -0.12     0.15  -0.14  -0.07
    20   1    -0.13   0.14   0.05     0.53   0.15  -0.08     0.08  -0.31  -0.06
    21   1     0.17  -0.13  -0.14     0.00   0.12  -0.41    -0.25   0.16   0.35
    22   1    -0.19  -0.15  -0.22     0.08  -0.18   0.29     0.28   0.24   0.30
    23   1    -0.00  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.01  -0.00
    24   1     0.00   0.00   0.00    -0.01  -0.00   0.00     0.01  -0.00   0.00
    25   1    -0.02   0.00  -0.01    -0.00   0.00  -0.02     0.00  -0.00   0.00
    26   1     0.02   0.00   0.01     0.03   0.01   0.01    -0.01  -0.00  -0.01
    27   1    -0.01   0.03   0.02    -0.01   0.02   0.03     0.00  -0.01  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1502.9881              1506.4665              1510.2449
 Red. masses --      1.1109                 1.0606                 1.0615
 Frc consts  --      1.4786                 1.4182                 1.4265
 IR Inten    --      2.2951                 7.2824                 6.3211
 RamAct Fr= 1--      5.7643                 4.2544                 1.6541
  Dep-P Fr= 1--      0.4857                 0.7455                 0.6092
  Dep-U Fr= 1--      0.6538                 0.8542                 0.7571
 Alpha2 Fr= 1--      0.0304                 0.0003                 0.0043
 Beta2  Fr= 1--      0.6282                 0.6057                 0.2087
 AlphaG Fr= 1--     -0.0039                 0.0007                -0.0025
 Gamma2 Fr= 1--     -0.1700                 0.3305                -0.1531
 Delta2 Fr= 1--     -0.2420                -1.0302                 0.2368
 Raman1 Fr= 1--      23.057                 17.017                  6.616
 ROA1   Fr= 1--     -24.059                 -1.243                 -7.118
 CID1   Fr= 1--      -1.043                 -0.073                 -1.076
 Raman2 Fr= 1--       7.538                  7.268                  2.505
 ROA2   Fr= 1--      -2.144                 16.173                 -5.568
 CID2   Fr= 1--      -0.284                  2.225                 -2.223
 Raman3 Fr= 1--      15.076                 14.536                  5.009
 ROA3   Fr= 1--     -24.059                 -1.243                 -7.118
 CID3   Fr= 1--      -1.596                 -0.086                 -1.421
 RC180  Fr= 1--       0.308                  0.708                  0.514
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.01    -0.00  -0.04   0.01    -0.04  -0.00  -0.00
     2   6    -0.02   0.03   0.01    -0.01  -0.02  -0.02    -0.03  -0.01   0.01
     3   6     0.02  -0.00  -0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6    -0.01  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.01  -0.01   0.01    -0.01   0.00  -0.02    -0.02  -0.01   0.01
     9   6    -0.06  -0.01  -0.00    -0.02   0.00   0.00     0.03   0.01   0.00
    10   6     0.01  -0.05  -0.01     0.00  -0.03  -0.01    -0.00   0.02   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   1     0.37   0.16  -0.20     0.12   0.04  -0.06    -0.18  -0.09   0.10
    13   1     0.31  -0.08   0.28     0.10  -0.04   0.08    -0.15   0.05  -0.14
    14   1    -0.08   0.00  -0.00    -0.03   0.00   0.00     0.01   0.00   0.00
    15   1    -0.01   0.26   0.26    -0.01   0.19   0.19     0.01  -0.10  -0.11
    16   1    -0.09   0.28  -0.18    -0.06   0.22  -0.13     0.05  -0.11   0.07
    17   1     0.15   0.09   0.16     0.14  -0.09  -0.33     0.51   0.12  -0.01
    18   1    -0.18  -0.18  -0.18     0.18   0.48   0.02    -0.06   0.24  -0.21
    19   1     0.25  -0.27  -0.10    -0.26   0.21   0.22     0.15  -0.33   0.20
    20   1     0.12   0.08  -0.01     0.17  -0.20  -0.06     0.36   0.14  -0.05
    21   1     0.04  -0.00  -0.14    -0.16   0.13   0.15    -0.00   0.10  -0.31
    22   1    -0.02  -0.10   0.04     0.20   0.11   0.27     0.04  -0.14   0.18
    23   1     0.00   0.00   0.01    -0.02  -0.01   0.00    -0.01   0.00   0.01
    24   1     0.02   0.01   0.00     0.01   0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.01   0.00   0.01    -0.01   0.00   0.00    -0.01   0.00   0.01
    26   1    -0.02  -0.01  -0.01     0.01  -0.00   0.00    -0.01  -0.01  -0.00
    27   1     0.00  -0.00  -0.02    -0.00   0.01   0.00     0.00  -0.00  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1692.7875              1736.9267              3018.5886
 Red. masses --      5.8220                 9.8999                 1.0347
 Frc consts  --      9.8295                17.5971                 5.5549
 IR Inten    --     54.9441               283.4844                24.8928
 RamAct Fr= 1--    552.7228               284.0754                79.8279
  Dep-P Fr= 1--      0.2865                 0.3164                 0.0402
  Dep-U Fr= 1--      0.4453                 0.4806                 0.0773
 Alpha2 Fr= 1--      5.9011                 2.7729                 1.6140
 Beta2  Fr= 1--     41.0247                22.7567                 1.0283
 AlphaG Fr= 1--      0.1004                 0.1009                -0.0425
 Gamma2 Fr= 1--      2.0617                 3.9959                -0.9073
 Delta2 Fr= 1--      1.0791                -0.2489                -1.3505
 Raman1 Fr= 1--    2210.891               1136.302                319.312
 ROA1   Fr= 1--     232.456                375.646               -130.317
 CID1   Fr= 1--       0.105                  0.331                 -0.408
 Raman2 Fr= 1--     492.297                273.080                 12.339
 ROA2   Fr= 1--      40.849                 97.894                -10.971
 CID2   Fr= 1--       0.083                  0.358                 -0.889
 Raman3 Fr= 1--     984.594                546.160                 24.679
 ROA3   Fr= 1--     232.456                375.646               -130.317
 CID3   Fr= 1--       0.236                  0.688                 -5.281
 RC180  Fr= 1--      -0.109                 -0.039                 -0.845
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     2   6    -0.01  -0.00   0.01    -0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.08  -0.02  -0.00     0.01   0.00   0.00     0.00  -0.00   0.00
     4   6     0.43   0.16  -0.12    -0.00   0.00  -0.01    -0.00  -0.00   0.00
     5   6    -0.40  -0.16   0.12    -0.06  -0.03   0.03    -0.00  -0.00   0.00
     6   6    -0.00  -0.01   0.02     0.53   0.33  -0.35     0.00  -0.00   0.00
     7   8     0.05   0.02  -0.02    -0.34  -0.21   0.22    -0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.05  -0.00
     9   6     0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   6    -0.01  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    11   6    -0.01  -0.00   0.00    -0.03  -0.02   0.03    -0.00  -0.00   0.00
    12   1    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.02   0.01  -0.03
    13   1     0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.01   0.02
    14   1     0.24   0.04   0.02    -0.00   0.00   0.00    -0.00   0.02  -0.03
    15   1     0.02   0.01   0.01     0.00   0.00   0.00     0.00   0.00   0.00
    16   1     0.03   0.03  -0.01     0.01   0.01  -0.01    -0.00   0.00  -0.00
    17   1     0.01  -0.00  -0.01    -0.00  -0.00   0.00     0.03  -0.13   0.03
    18   1    -0.01   0.01  -0.02    -0.00   0.00  -0.00    -0.14   0.05   0.08
    19   1     0.01  -0.01   0.00    -0.00   0.00   0.00     0.13   0.10   0.04
    20   1    -0.00   0.01   0.00    -0.00   0.00  -0.00     0.08  -0.02   0.48
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.44  -0.34  -0.14
    22   1    -0.01  -0.03   0.00    -0.00  -0.01   0.00     0.49  -0.17  -0.29
    23   1    -0.53  -0.00  -0.15    -0.01   0.00  -0.01    -0.00   0.00  -0.00
    24   1     0.40  -0.03   0.17     0.30   0.05   0.01    -0.00   0.00  -0.00
    25   1     0.04  -0.02  -0.01    -0.09  -0.01   0.19     0.00   0.00   0.00
    26   1     0.03   0.02   0.02    -0.05  -0.19   0.08     0.00  -0.00  -0.00
    27   1    -0.01   0.01  -0.01     0.04   0.16  -0.25     0.00   0.00   0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3026.9186              3040.8371              3050.9400
 Red. masses --      1.0351                 1.0371                 1.0668
 Frc consts  --      5.5875                 5.6501                 5.8505
 IR Inten    --     23.9058                 4.0204                26.1464
 RamAct Fr= 1--    191.7833               140.0234                39.5210
  Dep-P Fr= 1--      0.0211                 0.0073                 0.5880
  Dep-U Fr= 1--      0.0413                 0.0146                 0.7405
 Alpha2 Fr= 1--      4.0565                 3.0588                 0.1195
 Beta2  Fr= 1--      1.3203                 0.3398                 4.8779
 AlphaG Fr= 1--     -0.0668                -0.6103                 0.0887
 Gamma2 Fr= 1--      1.4637                 0.0431                -4.2198
 Delta2 Fr= 1--      0.8894                 1.0834                -3.6294
 Raman1 Fr= 1--     767.133                560.094                158.084
 ROA1   Fr= 1--     168.979                 38.811               -521.236
 CID1   Fr= 1--       0.220                  0.069                 -3.297
 Raman2 Fr= 1--      15.844                  4.078                 58.535
 ROA2   Fr= 1--      28.015                 -7.632                -72.239
 CID2   Fr= 1--       1.768                 -1.872                 -1.234
 Raman3 Fr= 1--      31.688                  8.156                117.069
 ROA3   Fr= 1--     168.979                 38.811               -521.236
 CID3   Fr= 1--       5.333                  4.759                 -4.452
 RC180  Fr= 1--      -0.917                 -0.971                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00   0.05     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.02  -0.04
     4   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   8    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     9   6     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.05   0.00   0.01
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.02   0.01
    11   6    -0.00  -0.00   0.00    -0.01  -0.03   0.04     0.00   0.00   0.00
    12   1    -0.03   0.02  -0.05     0.00  -0.00   0.00    -0.26   0.17  -0.42
    13   1    -0.03  -0.02   0.04     0.00   0.00  -0.00    -0.31  -0.21   0.36
    14   1    -0.00   0.03  -0.05    -0.00  -0.00   0.00    -0.01  -0.27   0.53
    15   1     0.01  -0.03   0.04    -0.00   0.00  -0.00    -0.07   0.17  -0.19
    16   1    -0.00  -0.01  -0.02     0.00   0.00   0.00     0.01   0.06   0.12
    17   1    -0.11   0.49  -0.13     0.00  -0.00   0.00     0.00  -0.01   0.00
    18   1     0.47  -0.16  -0.27    -0.00   0.00   0.00     0.00   0.00   0.00
    19   1    -0.43  -0.34  -0.16     0.00   0.00   0.00     0.00   0.00   0.00
    20   1     0.02  -0.01   0.14    -0.00   0.00  -0.00    -0.00   0.00  -0.02
    21   1    -0.12  -0.09  -0.04     0.00   0.00   0.00     0.01   0.01   0.00
    22   1     0.13  -0.05  -0.08    -0.00   0.00   0.00     0.01  -0.00  -0.01
    23   1     0.00  -0.01   0.02     0.00  -0.01   0.02    -0.00   0.02  -0.03
    24   1     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.01  -0.01
    25   1     0.00   0.00   0.00     0.16   0.62   0.07    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.35  -0.26  -0.48     0.00   0.00   0.00
    27   1    -0.00  -0.00  -0.00    -0.38  -0.03  -0.08    -0.00  -0.00  -0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3055.1192              3060.4671              3077.2194
 Red. masses --      1.0740                 1.0623                 1.1013
 Frc consts  --      5.9065                 5.8621                 6.1445
 IR Inten    --     26.2822                28.6226                11.8422
 RamAct Fr= 1--    240.3099               106.7080                42.3435
  Dep-P Fr= 1--      0.0491                 0.0757                 0.7065
  Dep-U Fr= 1--      0.0936                 0.1408                 0.8280
 Alpha2 Fr= 1--      4.7570                 1.9817                 0.0320
 Beta2  Fr= 1--      3.7490                 2.5046                 5.8433
 AlphaG Fr= 1--     -0.5173                -0.2038                -0.0108
 Gamma2 Fr= 1--      2.3432                 4.5737                 3.9697
 Delta2 Fr= 1--     -1.0043                -6.9487                 1.8515
 Raman1 Fr= 1--     961.240                426.832                169.374
 ROA1   Fr= 1--     192.812                216.718                440.342
 CID1   Fr= 1--       0.201                  0.508                  2.600
 Raman2 Fr= 1--      44.988                 30.056                 70.119
 ROA2   Fr= 1--      64.271                165.359                 80.461
 CID2   Fr= 1--       1.429                  5.502                  1.147
 Raman3 Fr= 1--      89.975                 60.111                140.239
 ROA3   Fr= 1--     192.812                216.718                440.342
 CID3   Fr= 1--       2.143                  3.605                  3.140
 RC180  Fr= 1--      -0.813                 -0.718                  0.656
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.01  -0.00     0.02   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00   0.03  -0.05    -0.00   0.01  -0.02     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     8   6    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.08  -0.02   0.02
     9   6    -0.04  -0.00  -0.01     0.01  -0.00   0.01    -0.00  -0.00   0.00
    10   6     0.00  -0.01   0.02    -0.02   0.06  -0.00     0.00  -0.00  -0.00
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   1     0.26  -0.16   0.41    -0.09   0.05  -0.14    -0.01   0.00  -0.01
    13   1     0.25   0.17  -0.29    -0.00  -0.00   0.01     0.01   0.01  -0.02
    14   1    -0.01  -0.32   0.64    -0.00  -0.13   0.26     0.00   0.02  -0.03
    15   1    -0.05   0.13  -0.14     0.20  -0.49   0.55    -0.00   0.01  -0.01
    16   1    -0.00  -0.03  -0.05    -0.02  -0.23  -0.48     0.00   0.01   0.03
    17   1    -0.01   0.04  -0.01    -0.01   0.04  -0.01     0.00   0.03  -0.01
    18   1     0.03  -0.01  -0.02    -0.05   0.02   0.03    -0.16   0.06   0.10
    19   1    -0.05  -0.04  -0.02     0.03   0.02   0.01    -0.13  -0.10  -0.05
    20   1    -0.00  -0.00  -0.02    -0.01   0.00  -0.03    -0.03   0.00  -0.06
    21   1    -0.05  -0.04  -0.01     0.01   0.01   0.00     0.49   0.41   0.16
    22   1     0.07  -0.03  -0.04     0.02  -0.01  -0.01     0.56  -0.22  -0.34
    23   1    -0.00   0.02  -0.03    -0.00   0.02  -0.03     0.00  -0.01   0.01
    24   1    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3086.9332              3087.1375              3091.0159
 Red. masses --      1.1014                 1.1020                 1.1009
 Frc consts  --      6.1837                 6.1877                 6.1972
 IR Inten    --     44.1205                17.0886                36.1633
 RamAct Fr= 1--     96.6281                39.5421                50.7908
  Dep-P Fr= 1--      0.7133                 0.6721                 0.7298
  Dep-U Fr= 1--      0.8327                 0.8039                 0.8438
 Alpha2 Fr= 1--      0.0613                 0.0546                 0.0175
 Beta2  Fr= 1--     13.4096                 5.2978                 7.1431
 AlphaG Fr= 1--      0.0147                -0.2834                 0.0540
 Gamma2 Fr= 1--     11.4331                13.7285                -4.1335
 Delta2 Fr= 1--      3.9732                13.8018                -8.7901
 Raman1 Fr= 1--     386.513                158.168                203.163
 ROA1   Fr= 1--    1224.722               1759.598               -678.100
 CID1   Fr= 1--       3.169                 11.125                 -3.338
 Raman2 Fr= 1--     160.916                 63.574                 85.717
 ROA2   Fr= 1--     242.609                219.071                -28.884
 CID2   Fr= 1--       1.508                  3.446                 -0.337
 Raman3 Fr= 1--     321.831                127.147                171.433
 ROA3   Fr= 1--    1224.722               1759.598               -678.100
 CID3   Fr= 1--       3.805                 13.839                 -3.955
 RC180  Fr= 1--       0.665                  0.608                  0.688
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.09   0.01   0.01     0.00   0.03   0.00    -0.00  -0.09  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00     0.00   0.00  -0.01     0.00   0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     7   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   6    -0.02  -0.00   0.00    -0.01  -0.02  -0.08    -0.01  -0.01  -0.02
     9   6     0.00   0.00  -0.01    -0.00  -0.01   0.02    -0.00   0.00  -0.00
    10   6     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    12   1     0.03  -0.02   0.05    -0.07   0.04  -0.10     0.03  -0.02   0.04
    13   1    -0.03  -0.02   0.04     0.11   0.07  -0.12    -0.01  -0.01   0.02
    14   1     0.00   0.00  -0.00    -0.00  -0.03   0.07    -0.00  -0.01   0.02
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.01    -0.01   0.01  -0.02
    16   1    -0.00  -0.03  -0.06     0.00  -0.00  -0.00     0.00   0.03   0.07
    17   1     0.02  -0.19   0.06     0.05  -0.21   0.06    -0.17   0.73  -0.21
    18   1     0.61  -0.22  -0.37     0.04  -0.01  -0.02    -0.16   0.03   0.10
    19   1     0.41   0.34   0.17    -0.11  -0.08  -0.04     0.39   0.28   0.15
    20   1    -0.00  -0.00   0.01     0.14  -0.06   0.79     0.04  -0.02   0.24
    21   1     0.14   0.12   0.05     0.28   0.22   0.07     0.11   0.09   0.03
    22   1     0.15  -0.06  -0.09    -0.24   0.09   0.13    -0.06   0.02   0.03
    23   1    -0.00   0.02  -0.03    -0.00   0.01  -0.02     0.00  -0.01   0.02
    24   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    27   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3095.5215              3096.6035              3113.7915
 Red. masses --      1.1066                 1.0993                 1.1071
 Frc consts  --      6.2475                 6.2105                 6.3243
 IR Inten    --     21.5533                 8.4025                47.4700
 RamAct Fr= 1--    103.1744                32.0306                94.3525
  Dep-P Fr= 1--      0.4842                 0.7487                 0.5479
  Dep-U Fr= 1--      0.6524                 0.8563                 0.7079
 Alpha2 Fr= 1--      0.5476                 0.0007                 0.3651
 Beta2  Fr= 1--     11.2190                 4.5713                11.1318
 AlphaG Fr= 1--      0.4122                -0.0419                 0.1241
 Gamma2 Fr= 1--     -5.0124                -1.1209                -7.0741
 Delta2 Fr= 1--      9.7372                -1.2633               -10.0990
 Raman1 Fr= 1--     412.698                128.122                377.410
 ROA1   Fr= 1--    -169.595               -148.030              -1002.279
 CID1   Fr= 1--      -0.411                 -1.155                 -2.656
 Raman2 Fr= 1--     134.628                 54.855                133.582
 ROA2   Fr= 1--    -198.195                -16.794                -88.986
 CID2   Fr= 1--      -1.472                 -0.306                 -0.666
 Raman3 Fr= 1--     269.255                109.710                267.163
 ROA3   Fr= 1--    -169.595               -148.030              -1002.279
 CID3   Fr= 1--      -0.630                 -1.349                 -3.752
 RC180  Fr= 1--       0.305                  0.713                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     2   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.00   0.01  -0.01
     4   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.02    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
     9   6     0.01   0.04  -0.07     0.00   0.00  -0.00    -0.00   0.02  -0.04
    10   6     0.00   0.01   0.04     0.00  -0.00   0.00    -0.01   0.00  -0.08
    11   6     0.00   0.00   0.00     0.02  -0.08  -0.05     0.00   0.00   0.00
    12   1     0.28  -0.16   0.42     0.00  -0.00   0.00     0.19  -0.11   0.28
    13   1    -0.41  -0.26   0.43    -0.00  -0.00   0.00    -0.19  -0.12   0.20
    14   1     0.00   0.03  -0.06     0.00  -0.00   0.00    -0.00  -0.06   0.11
    15   1    -0.04   0.11  -0.11    -0.00   0.00  -0.00     0.14  -0.34   0.36
    16   1    -0.02  -0.21  -0.40     0.00  -0.00   0.00     0.02   0.32   0.60
    17   1     0.01  -0.04   0.01    -0.00   0.00  -0.00     0.02  -0.07   0.02
    18   1    -0.06   0.03   0.04     0.00  -0.00  -0.00     0.01  -0.00  -0.01
    19   1    -0.07  -0.06  -0.03     0.00   0.00   0.00    -0.04  -0.03  -0.01
    20   1     0.03  -0.01   0.15     0.00  -0.00   0.00     0.01  -0.01   0.06
    21   1     0.06   0.05   0.02     0.00   0.00   0.00     0.02   0.01   0.00
    22   1    -0.05   0.02   0.02    -0.00   0.00   0.00    -0.01   0.00   0.01
    23   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.03  -0.05
    24   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    25   1    -0.00  -0.00  -0.00     0.19   0.68   0.06     0.00   0.00   0.00
    26   1     0.00  -0.00  -0.00    -0.39   0.26   0.53     0.00  -0.00  -0.00
    27   1    -0.00  -0.00  -0.00     0.00  -0.02  -0.01    -0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3145.2081              3147.1515              3158.3821
 Red. masses --      1.0953                 1.0952                 1.0873
 Frc consts  --      6.3840                 6.3910                 6.3906
 IR Inten    --     13.0724                 4.9024                12.1865
 RamAct Fr= 1--     90.9139                63.6876                35.2010
  Dep-P Fr= 1--      0.2136                 0.6801                 0.2180
  Dep-U Fr= 1--      0.3519                 0.8096                 0.3580
 Alpha2 Fr= 1--      1.1908                 0.0785                 0.4555
 Beta2  Fr= 1--      5.3328                 8.5936                 2.1004
 AlphaG Fr= 1--      0.0582                -0.0257                 0.3492
 Gamma2 Fr= 1--     -3.3532                -3.1294                 4.6927
 Delta2 Fr= 1--     -0.4923                -3.8121                 2.6741
 Raman1 Fr= 1--     363.656                254.750                140.804
 ROA1   Fr= 1--    -337.664               -422.414                536.071
 CID1   Fr= 1--      -0.929                 -1.658                  3.807
 Raman2 Fr= 1--      63.994                103.123                 25.205
 ROA2   Fr= 1--     -76.540                -44.610                 91.233
 CID2   Fr= 1--      -1.196                 -0.433                  3.620
 Raman3 Fr= 1--     127.988                206.246                 50.410
 ROA3   Fr= 1--    -337.664               -422.414                536.071
 CID3   Fr= 1--      -2.638                 -2.048                 10.634
 RC180  Fr= 1--      -0.296                  0.619                 -0.284
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6    -0.00   0.03  -0.05     0.00  -0.03   0.05    -0.01   0.01  -0.02
     5   6    -0.00  -0.01   0.02     0.00   0.01  -0.02    -0.01   0.04  -0.07
     6   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06  -0.01  -0.00    -0.06  -0.01  -0.00     0.01   0.00   0.00
    12   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    13   1    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
    14   1    -0.00  -0.02   0.04     0.00   0.02  -0.04     0.00  -0.02   0.04
    15   1     0.01  -0.02   0.02    -0.01   0.02  -0.02     0.00  -0.01   0.01
    16   1     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.00   0.00   0.01
    17   1     0.01  -0.03   0.01    -0.01   0.03  -0.01     0.00  -0.01   0.00
    18   1     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00  -0.00   0.01    -0.00   0.00  -0.01     0.00  -0.00   0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    23   1     0.07  -0.34   0.57    -0.07   0.34  -0.56     0.03  -0.17   0.29
    24   1    -0.02   0.10  -0.16     0.02  -0.15   0.24     0.08  -0.48   0.80
    25   1     0.04   0.18   0.02     0.04   0.19   0.02    -0.00  -0.02  -0.00
    26   1     0.09  -0.07  -0.14     0.10  -0.08  -0.15    -0.01   0.01   0.01
    27   1     0.65   0.04   0.15     0.61   0.04   0.14    -0.06  -0.00  -0.01

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   843.955453611.893103665.80758
           X            0.99982  -0.01289   0.01425
           Y            0.01449   0.99285  -0.11849
           Z           -0.01262   0.11868   0.99285
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10263     0.02398     0.02363
 Rotational constants (GHZ):           2.13843     0.49967     0.49232
 Zero-point vibrational energy     622373.4 (Joules/Mol)
                                  148.75082 (Kcal/Mol)
 Warning -- explicit consideration of  19 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.01    92.74   116.65   178.79   211.82
          (Kelvin)            231.74   318.28   352.76   391.11   417.78
                              453.79   505.84   535.33   587.96   653.60
                              759.66   827.84   843.10   890.07  1053.90
                             1146.59  1190.02  1242.70  1268.28  1313.73
                             1370.00  1386.67  1397.88  1436.54  1452.40
                             1473.45  1477.96  1511.57  1580.31  1667.87
                             1703.14  1726.54  1762.33  1793.07  1810.48
                             1835.88  1840.41  1853.49  1893.60  1924.37
                             1995.95  2002.04  2022.34  2045.42  2117.07
                             2129.35  2134.39  2139.22  2148.11  2162.46
                             2167.47  2172.91  2435.54  2499.05  4343.08
                             4355.06  4375.09  4389.62  4395.64  4403.33
                             4427.43  4441.41  4441.70  4447.28  4453.77
                             4455.32  4480.05  4525.25  4528.05  4544.21
 
 Zero-point correction=                           0.237050 (Hartree/Particle)
 Thermal correction to Energy=                    0.249526
 Thermal correction to Enthalpy=                  0.250471
 Thermal correction to Gibbs Free Energy=         0.198060
 Sum of electronic and zero-point Energies=           -465.874976
 Sum of electronic and thermal Energies=              -465.862500
 Sum of electronic and thermal Enthalpies=            -465.861555
 Sum of electronic and thermal Free Energies=         -465.913966
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.580             46.421            110.307
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.792
 Vibrational            154.803             40.460             38.546
 Vibration     1          0.594              1.983              5.577
 Vibration     2          0.597              1.971              4.316
 Vibration     3          0.600              1.962              3.865
 Vibration     4          0.610              1.929              3.033
 Vibration     5          0.617              1.906              2.708
 Vibration     6          0.622              1.890              2.537
 Vibration     7          0.648              1.809              1.949
 Vibration     8          0.660              1.771              1.765
 Vibration     9          0.675              1.725              1.585
 Vibration    10          0.686              1.692              1.472
 Vibration    11          0.703              1.644              1.334
 Vibration    12          0.728              1.572              1.159
 Vibration    13          0.744              1.530              1.071
 Vibration    14          0.773              1.451              0.931
 Vibration    15          0.813              1.351              0.783
 Vibration    16          0.883              1.188              0.592
 Vibration    17          0.932              1.085              0.494
 Vibration    18          0.943              1.062              0.474
 Vibration    19          0.978              0.993              0.419
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.791857D-91        -91.101353       -209.768618
 Total V=0       0.858544D+18         17.933763         41.294014
 Vib (Bot)       0.897336-105       -105.047045       -241.879760
 Vib (Bot)    1  0.607621D+01          0.783633          1.804381
 Vib (Bot)    2  0.320185D+01          0.505400          1.163727
 Vib (Bot)    3  0.253961D+01          0.404767          0.932010
 Vib (Bot)    4  0.164286D+01          0.215601          0.496439
 Vib (Bot)    5  0.137842D+01          0.139382          0.320939
 Vib (Bot)    6  0.125472D+01          0.098548          0.226914
 Vib (Bot)    7  0.893695D+00         -0.048811         -0.112391
 Vib (Bot)    8  0.797824D+00         -0.098093         -0.225867
 Vib (Bot)    9  0.710284D+00         -0.148568         -0.342091
 Vib (Bot)   10  0.658454D+00         -0.181474         -0.417860
 Vib (Bot)   11  0.597648D+00         -0.223555         -0.514754
 Vib (Bot)   12  0.524235D+00         -0.280474         -0.645816
 Vib (Bot)   13  0.488615D+00         -0.311033         -0.716179
 Vib (Bot)   14  0.433378D+00         -0.363133         -0.836145
 Vib (Bot)   15  0.376187D+00         -0.424597         -0.977670
 Vib (Bot)   16  0.303468D+00         -0.517888         -1.192480
 Vib (Bot)   17  0.266065D+00         -0.575013         -1.324016
 Vib (Bot)   18  0.258483D+00         -0.587569         -1.352927
 Vib (Bot)   19  0.236735D+00         -0.625738         -1.440815
 Vib (V=0)       0.972906D+04          3.988071          9.182873
 Vib (V=0)    1  0.659674D+01          0.819330          1.886576
 Vib (V=0)    2  0.374065D+01          0.572947          1.319259
 Vib (V=0)    3  0.308836D+01          0.489728          1.127641
 Vib (V=0)    4  0.221726D+01          0.345817          0.796274
 Vib (V=0)    5  0.196630D+01          0.293651          0.676156
 Vib (V=0)    6  0.185068D+01          0.267331          0.615551
 Vib (V=0)    7  0.152406D+01          0.183001          0.421375
 Vib (V=0)    8  0.144155D+01          0.158831          0.365722
 Vib (V=0)    9  0.136862D+01          0.136283          0.313804
 Vib (V=0)   10  0.132678D+01          0.122798          0.282753
 Vib (V=0)   11  0.127922D+01          0.106945          0.246250
 Vib (V=0)   12  0.122445D+01          0.087940          0.202489
 Vib (V=0)   13  0.119910D+01          0.078857          0.181574
 Vib (V=0)   14  0.116168D+01          0.065085          0.149865
 Vib (V=0)   15  0.112571D+01          0.051428          0.118416
 Vib (V=0)   16  0.108489D+01          0.035384          0.081476
 Vib (V=0)   17  0.106638D+01          0.027913          0.064273
 Vib (V=0)   18  0.106286D+01          0.026477          0.060965
 Vib (V=0)   19  0.105321D+01          0.022516          0.051844
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.119662D+07          6.077958         13.995015
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000000623    0.000001577   -0.000010218
      2        6           0.000000364    0.000005236    0.000014082
      3        6           0.000011646   -0.000017672    0.000000215
      4        6          -0.000006996   -0.000000011   -0.000002841
      5        6           0.000003620    0.000003802    0.000004609
      6        6          -0.000002788   -0.000003071   -0.000004579
      7        8           0.000002972   -0.000002417   -0.000000334
      8        6           0.000000540    0.000000126   -0.000002976
      9        6          -0.000007236   -0.000006732   -0.000008124
     10        6           0.000001202    0.000010782   -0.000001716
     11        6          -0.000003315    0.000010474    0.000007335
     12        1           0.000000874   -0.000000976    0.000001433
     13        1           0.000003202   -0.000001899    0.000001436
     14        1          -0.000002896    0.000002071   -0.000000052
     15        1          -0.000002023    0.000000394    0.000002436
     16        1           0.000001629   -0.000002115    0.000001187
     17        1          -0.000000234    0.000001008   -0.000000339
     18        1          -0.000000196    0.000001281    0.000000155
     19        1           0.000000246    0.000001635    0.000001388
     20        1           0.000000053   -0.000002817    0.000000734
     21        1          -0.000001050   -0.000001172   -0.000001506
     22        1          -0.000000511   -0.000000857   -0.000001081
     23        1          -0.000001053    0.000002077    0.000000629
     24        1          -0.000000859   -0.000000530    0.000000786
     25        1           0.000003208    0.000000888   -0.000002714
     26        1           0.000000098   -0.000002125   -0.000001185
     27        1           0.000000124    0.000001043    0.000001239
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000017672 RMS     0.000004327
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169043D+03  0.861434D+01 -0.454667D+01
      2   0.861434D+01  0.109690D+03 -0.438392D+01
      3  -0.454667D+01 -0.438392D+01  0.110499D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.669692D+01  0.953357D+01  0.279798D+01
      2   0.166880D+02 -0.153217D+02 -0.214393D+02
      3  -0.308862D+02  0.373593D+02  0.217835D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.814724D+02  0.487449D+02 -0.203485D+02
      2  -0.562825D+02 -0.347888D+02 -0.131315D+02
      3  -0.251899D+02 -0.139561D+02  0.334800D+02
      4   0.422015D+02 -0.825959D+02 -0.517067D+02
      5  -0.136471D+02 -0.544825D+02 -0.400311D+02
      6  -0.294554D+02  0.154576D+01  0.335789D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.299112D+01 -0.318492D+01 -0.477346D+01 -0.379565D+01 -0.233965D+01
      2  -0.318492D+01 -0.225734D+01  0.182107D+00 -0.233965D+01  0.339917D+01
      3  -0.477346D+01  0.182107D+00  0.204350D+01  0.473283D+00 -0.300319D+01
                 6             7             8             9            10 
      1   0.473283D+00 -0.407763D+01  0.528146D+00  0.209541D+01 -0.206618D+02
      2  -0.300319D+01  0.528146D+00 -0.240992D+01 -0.122742D+01  0.478908D+01
      3  -0.949919D+00  0.209541D+01 -0.122742D+01  0.270873D+01  0.550931D+01
                11            12            13            14            15 
      1   0.478908D+01  0.550931D+01  0.704155D+01  0.377297D+00 -0.939046D+00
      2   0.200399D+01  0.161350D-02  0.377297D+00 -0.757906D+00  0.246653D+01
      3   0.161350D-02 -0.231894D+01 -0.939046D+00  0.246653D+01  0.178656D+01
                16            17            18            19            20 
      1   0.152539D+02 -0.920522D+00 -0.401537D+01  0.443838D+02  0.193782D+01
      2  -0.920522D+00  0.289322D+01  0.236807D+01  0.193782D+01  0.344328D+01
      3  -0.401537D+01  0.236807D+01 -0.317483D+01 -0.329818D+01  0.139442D+01
                21            22            23            24            25 
      1  -0.329818D+01 -0.224734D+01  0.734427D+01  0.388911D+01 -0.568269D+01
      2   0.139442D+01  0.734427D+01  0.191234D+01  0.608141D+00  0.311182D+01
      3   0.141526D+01  0.388911D+01  0.608141D+00 -0.387189D+01  0.284191D+01
                26            27            28            29            30 
      1   0.311182D+01  0.284191D+01 -0.615065D+02 -0.664933D+01  0.424098D+01
      2   0.503452D+00 -0.325061D+01 -0.664933D+01 -0.328563D+01 -0.193359D+00
      3  -0.325061D+01  0.278131D+01  0.424098D+01 -0.193359D+00 -0.225053D+01
                31            32            33            34            35 
      1  -0.140569D+02 -0.705582D+01 -0.788642D+00  0.853477D+01  0.198953D+00
      2  -0.705582D+01 -0.405496D+01 -0.108777D+01  0.198953D+00 -0.796236D+00
      3  -0.788642D+00 -0.108777D+01  0.208636D+01 -0.468947D+01  0.182411D+01
                36            37            38            39            40 
      1  -0.468947D+01  0.600901D+02  0.916848D+01 -0.549527D+01  0.147661D+02
      2   0.182411D+01  0.916848D+01  0.273749D+01  0.239841D-01  0.582015D+01
      3  -0.132967D+01 -0.549527D+01  0.239841D-01  0.108711D+01  0.237398D+00
                41            42            43            44            45 
      1   0.582015D+01  0.237398D+00 -0.747651D+01  0.256351D+00  0.360358D+01
      2   0.315639D+01  0.807056D+00  0.256351D+00  0.624663D+00 -0.267059D+01
      3   0.807056D+00 -0.303897D+01  0.360358D+01 -0.267059D+01  0.130383D+01
                46            47            48            49            50 
      1  -0.432001D+02 -0.888279D+01  0.512567D+01 -0.113640D+02 -0.304768D+01
      2  -0.888279D+01 -0.182488D+01  0.162057D+01 -0.304768D+01 -0.115786D+01
      3   0.512567D+01  0.162057D+01 -0.882501D+00  0.224902D+01 -0.630556D-01
                51            52            53            54            55 
      1   0.224902D+01  0.419582D+01  0.209864D+01 -0.180680D+01  0.353822D+02
      2  -0.630556D-01  0.209864D+01  0.249978D+00  0.998412D+00  0.703476D+01
      3   0.101952D+01 -0.180680D+01  0.998412D+00 -0.120663D+01 -0.498370D+01
                56            57            58            59            60 
      1   0.703476D+01 -0.498370D+01  0.167949D+02  0.736882D+01 -0.153864D+01
      2   0.292733D+01 -0.130780D+01  0.736882D+01  0.503453D+01 -0.198856D+01
      3  -0.130780D+01  0.262867D+01 -0.153864D+01 -0.198856D+01  0.996223D+00
                61            62            63            64            65 
      1  -0.180303D+02 -0.326668D+01  0.553721D+01  0.648297D+01 -0.452259D+01
      2  -0.326668D+01 -0.156240D+01  0.178749D+01 -0.452259D+01 -0.197414D+01
      3   0.553721D+01  0.178749D+01 -0.409867D+01 -0.304724D+01  0.446038D+00
                66            67            68            69            70 
      1  -0.304724D+01 -0.414570D+01 -0.180081D+01  0.661911D+00 -0.582174D+01
      2   0.446038D+00 -0.180081D+01  0.850639D+00 -0.217128D+01  0.834519D+00
      3   0.201726D+01  0.661911D+00 -0.217128D+01 -0.102202D+01  0.275344D+01
                71            72            73            74            75 
      1   0.834519D+00  0.275344D+01  0.355827D+00  0.928799D+00 -0.425624D+00
      2  -0.226513D+01 -0.201996D+01  0.928799D+00 -0.282241D+01 -0.293617D+01
      3  -0.201996D+01  0.560092D+01 -0.425624D+00 -0.293617D+01  0.219455D+01
                76            77            78            79            80 
      1   0.163031D+01 -0.312289D+01 -0.419921D+01 -0.101441D+01 -0.404760D+01
      2  -0.312289D+01 -0.229415D+01 -0.129045D+01 -0.404760D+01 -0.164596D+01
      3  -0.419921D+01 -0.129045D+01 -0.108317D+01  0.322316D+01 -0.778983D+00
                81            82            83            84            85 
      1   0.322316D+01 -0.778088D+01 -0.651616D+01 -0.197644D+01 -0.854190D+01
      2  -0.778983D+00 -0.651616D+01 -0.254150D+01  0.102097D+01 -0.451990D+01
      3   0.134830D+01 -0.197644D+01  0.102097D+01 -0.373805D-01  0.356691D+00
                86            87            88            89            90 
      1  -0.451990D+01  0.356691D+00  0.374244D+01  0.194992D+01 -0.110008D+00
      2   0.465508D+00 -0.649559D-01  0.194992D+01  0.703332D+00  0.457645D+01
      3  -0.649559D-01  0.349008D+01 -0.110008D+00  0.457645D+01  0.185610D+01
                91            92            93            94            95 
      1  -0.878583D+01 -0.705280D+00 -0.270822D+01 -0.223982D+01  0.143786D+01
      2  -0.705280D+00  0.215365D+01 -0.208451D+00  0.143786D+01  0.429118D+01
      3  -0.270822D+01 -0.208451D+00  0.279755D+01 -0.724332D+00 -0.120899D+00
                96            97            98            99           100 
      1  -0.724332D+00 -0.665909D+00 -0.604089D+00  0.291002D+01 -0.499144D+01
      2  -0.120899D+00 -0.604089D+00  0.566006D+00 -0.200239D+01  0.224594D+00
      3  -0.233623D+01  0.291002D+01 -0.200239D+01 -0.476755D+00 -0.253093D+01
               101           102           103           104           105 
      1   0.224594D+00 -0.253093D+01  0.152910D+01 -0.765886D+00  0.126303D+01
      2  -0.650301D+00  0.425151D+00 -0.765886D+00  0.960807D+00 -0.629784D+00
      3   0.425151D+00 -0.229733D+01  0.126303D+01 -0.629784D+00  0.119476D+01
               106           107           108           109           110 
      1  -0.416482D+01  0.790376D+00 -0.358608D+01 -0.680046D+01 -0.228513D+01
      2   0.790376D+00 -0.124643D+01  0.303422D+00 -0.228513D+01 -0.138332D+01
      3  -0.358608D+01  0.303422D+00 -0.438980D+01  0.208089D+01  0.961777D+00
               111           112           113           114           115 
      1   0.208089D+01 -0.251804D+01 -0.187952D+01  0.123352D+01  0.464988D+01
      2   0.961777D+00 -0.187952D+01 -0.183913D+01  0.959744D+00  0.191936D+01
      3  -0.181806D+01  0.123352D+01  0.959744D+00 -0.799415D+00 -0.298379D+01
               116           117           118           119           120 
      1   0.191936D+01 -0.298379D+01  0.313735D+00  0.593041D+00 -0.697815D+00
      2   0.175416D+01 -0.953344D+00  0.593041D+00 -0.253750D+00 -0.260629D+00
      3  -0.953344D+00  0.245600D+01 -0.697815D+00 -0.260629D+00 -0.949399D-03
               121           122           123           124           125 
      1   0.191786D+01 -0.619136D+00 -0.861057D-01 -0.933757D+00  0.215266D-01
      2  -0.619136D+00  0.132606D+01 -0.133194D+01  0.215266D-01 -0.174039D+01
      3  -0.861057D-01 -0.133194D+01  0.219472D+01 -0.560813D+00  0.154873D+01
               126           127           128           129           130 
      1  -0.560813D+00  0.100905D+01 -0.308389D+00  0.693624D+00 -0.189090D+00
      2   0.154873D+01 -0.308389D+00  0.164564D+01 -0.502524D+00  0.703862D+00
      3  -0.583497D+01  0.693624D+00 -0.502524D+00  0.546298D+00 -0.315647D+00
               131           132           133           134           135 
      1   0.703862D+00 -0.315647D+00  0.135849D+01 -0.337945D+00  0.180307D+00
      2  -0.526952D+01  0.160982D+01 -0.337945D+00  0.337002D+01 -0.216521D+01
      3   0.160982D+01 -0.171432D+01  0.180307D+00 -0.216521D+01  0.211333D+01
               136           137           138           139           140 
      1   0.100231D+01 -0.251716D+00 -0.743096D+00  0.125325D+01 -0.346335D+00
      2  -0.251716D+00  0.219273D+00 -0.133937D+00 -0.346335D+00 -0.431041D+01
      3  -0.743096D+00 -0.133937D+00 -0.443877D-01 -0.567555D+00 -0.280380D+01
               141           142           143           144           145 
      1  -0.567555D+00 -0.210031D+01 -0.123218D+01 -0.959576D+00  0.550908D+00
      2  -0.280380D+01 -0.123218D+01 -0.451418D+01 -0.455292D+01 -0.591346D+00
      3  -0.278759D+01 -0.959576D+00 -0.455292D+01 -0.596301D+01  0.849423D+00
               146           147           148           149           150 
      1  -0.591346D+00  0.849423D+00 -0.900580D+00  0.869382D+00 -0.152899D+00
      2   0.882614D+00 -0.314379D+00  0.869382D+00 -0.531472D+01  0.229494D+01
      3  -0.314379D+00  0.367993D+00 -0.152899D+00  0.229494D+01 -0.296039D+01
               151           152           153           154           155 
      1   0.631114D+00 -0.218215D+00  0.926329D-01 -0.611853D+01  0.152350D+01
      2  -0.218215D+00  0.163621D+01 -0.147010D+01  0.152350D+01 -0.116803D+01
      3   0.926329D-01 -0.147010D+01  0.137506D+01  0.403201D+01 -0.910278D+00
               156           157           158           159           160 
      1   0.403201D+01  0.148672D+01 -0.971291D+00 -0.942004D+00  0.232577D+01
      2  -0.910278D+00 -0.971291D+00  0.726383D+00  0.132619D+01 -0.700539D+00
      3  -0.423107D+01 -0.942004D+00  0.132619D+01  0.148444D+01 -0.282299D+01
               161           162           163           164           165 
      1  -0.700539D+00 -0.282299D+01  0.376541D+01  0.164611D+01  0.156268D+01
      2   0.873163D+00  0.957785D+00  0.164611D+01  0.196260D+01  0.108768D+01
      3   0.957785D+00  0.356672D+01  0.156268D+01  0.108768D+01  0.239357D+01
               166           167           168           169           170 
      1   0.171939D+01  0.141442D+01  0.807191D+00  0.674384D+00  0.526322D+00
      2   0.141442D+01  0.212909D+01  0.166040D+01  0.526322D+00  0.958954D+00
      3   0.807191D+00  0.166040D+01  0.213336D+01  0.106029D+01  0.106061D+01
               171           172           173           174           175 
      1   0.106029D+01 -0.140092D+01  0.914956D+00 -0.861028D+00  0.466097D+00
      2   0.106061D+01  0.914956D+00 -0.202180D+00  0.283878D+00 -0.881980D-01
      3   0.167244D+01 -0.861028D+00  0.283878D+00 -0.118434D+01  0.219671D+00
               176           177           178           179           180 
      1  -0.881980D-01  0.219671D+00 -0.149609D+01  0.864644D+00 -0.202445D+01
      2   0.463679D+00 -0.921262D+00  0.864644D+00 -0.226030D+01  0.205359D+01
      3  -0.921262D+00  0.669496D+00 -0.202445D+01  0.205359D+01 -0.712738D+01
               181           182           183           184           185 
      1   0.238090D+01  0.195103D+01  0.748725D+00  0.156290D+01  0.164329D+01
      2   0.195103D+01  0.418359D+01  0.415956D+00  0.164329D+01  0.486931D+01
      3   0.748725D+00  0.415956D+00  0.881880D+00  0.247765D+00  0.788646D+00
               186           187           188           189           190 
      1   0.247765D+00  0.991022D+00  0.149114D+00  0.233244D+00 -0.720849D+01
      2   0.788646D+00  0.149114D+00  0.154571D+01  0.110266D+01  0.387949D+01
      3   0.881790D+00  0.233244D+00  0.110266D+01  0.212485D+00  0.210029D+01
               191           192           193           194           195 
      1   0.387949D+01  0.210029D+01  0.126949D+01 -0.199665D+01 -0.748633D+00
      2  -0.283890D+01 -0.906634D+00 -0.199665D+01  0.216357D+01  0.980502D+00
      3  -0.906634D+00 -0.181334D+01 -0.748633D+00  0.980502D+00  0.655651D+00
               196           197           198           199           200 
      1   0.360455D+01 -0.178562D+01 -0.205058D+01 -0.129628D+01 -0.933656D+00
      2  -0.178562D+01  0.218317D+01  0.127500D+01 -0.933656D+00 -0.150013D-01
      3  -0.205058D+01  0.127500D+01  0.133622D+01  0.128675D+01 -0.199466D+00
               201           202           203           204           205 
      1   0.128675D+01 -0.163943D+01  0.867283D+00  0.340502D+00  0.170841D+01
      2  -0.199466D+00  0.867283D+00 -0.125997D+01  0.143322D+01  0.384961D+00
      3   0.320470D+00  0.340502D+00  0.143322D+01 -0.187833D+01  0.484779D+00
               206           207           208           209           210 
      1   0.384961D+00  0.484779D+00  0.823149D+00  0.676182D+00 -0.839572D+00
      2   0.175044D+01 -0.176508D+01  0.676182D+00  0.554873D-01  0.398292D-01
      3  -0.176508D+01  0.379823D+01 -0.839572D+00  0.398292D-01 -0.166351D+00
               211           212           213           214           215 
      1   0.117827D+01 -0.571713D-01 -0.450341D+00 -0.150512D+01 -0.318123D+00
      2  -0.571713D-01  0.185321D+01 -0.187099D+01 -0.318123D+00 -0.213836D+01
      3  -0.450341D+00 -0.187099D+01  0.283353D+01  0.102323D+00  0.249076D+01
               216           217           218           219           220 
      1   0.102323D+00  0.913426D+00 -0.618621D+00  0.914832D-01 -0.221278D+01
      2   0.249076D+01 -0.618621D+00 -0.116548D+01  0.271389D+00  0.349423D+00
      3  -0.566701D+01  0.914832D-01  0.271389D+00 -0.899548D+00 -0.651913D+00
               221           222           223           224           225 
      1   0.349423D+00 -0.651913D+00  0.634830D+00  0.179777D+00 -0.193436D+00
      2  -0.744225D+01  0.935207D+00  0.179777D+00 -0.372249D+00 -0.610964D+00
      3   0.935207D+00 -0.152249D+01 -0.193436D+00 -0.610964D+00  0.303265D+00
               226           227           228           229           230 
      1  -0.519232D+00  0.745769D+00  0.101006D+01  0.802279D+00 -0.475473D+00
      2   0.745769D+00 -0.101082D+01 -0.128742D+00 -0.475473D+00  0.434293D+00
      3   0.101006D+01 -0.128742D+00 -0.279948D+01 -0.102515D+00  0.113678D+01
               231           232           233           234           235 
      1  -0.102515D+00  0.269981D+01 -0.365025D+00 -0.682748D+00  0.982566D+01
      2   0.113678D+01 -0.365025D+00  0.116408D+01  0.957534D+00 -0.563679D+00
      3   0.207413D+01 -0.682748D+00  0.957534D+00  0.564314D+01  0.304866D+01
               236           237           238           239           240 
      1  -0.563679D+00  0.304866D+01  0.432990D+00  0.890358D+00  0.228381D+00
      2   0.117874D+01 -0.172993D+00  0.890358D+00 -0.335304D+00  0.340750D+00
      3  -0.172993D+00  0.205010D+01  0.228381D+00  0.340750D+00  0.464132D+00
               241           242           243 
      1   0.196411D+01 -0.179055D-01  0.136781D+01
      2  -0.179055D-01  0.174984D+00  0.162985D+00
      3   0.136781D+01  0.162985D+00  0.119267D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.556417D+01 -0.531429D+01  0.909681D-01 -0.491779D+01  0.955424D+01
      2   0.780801D+01  0.699047D+01  0.953533D+01  0.640221D+01  0.115677D+02
      3  -0.655172D+01 -0.756799D+01 -0.123442D+01 -0.371411D+01  0.511439D+01
                 6             7             8             9            10 
      1  -0.104296D+02 -0.678300D+00 -0.381181D+01 -0.233670D+01  0.689739D+00
      2   0.840795D+00  0.223603D+01  0.210098D+01 -0.852235D+01 -0.200125D+02
      3  -0.520109D+01 -0.507252D+00 -0.462733D+01 -0.173712D+01  0.132517D+02
                11            12            13            14            15 
      1   0.219710D+01  0.148025D+01  0.254734D+01 -0.441909D+01 -0.475770D+01
      2  -0.130935D+01  0.853588D+01 -0.124381D+01 -0.876317D+01 -0.486122D+01
      3   0.359527D+01  0.382501D+01  0.140078D+02  0.304187D+01  0.612891D+01
                16            17            18            19            20 
      1   0.457333D+00  0.554642D+01  0.350209D+01 -0.224906D+01 -0.794398D+00
      2   0.841255D+01 -0.518767D+01  0.715647D+01  0.257404D+02  0.239425D+01
      3  -0.100809D+01  0.603855D+01  0.389587D+01 -0.172512D+02 -0.590375D+01
                21            22            23            24            25 
      1  -0.873925D+00 -0.528520D+00 -0.133517D+01 -0.426703D+01 -0.635563D+00
      2   0.798190D+00  0.124196D+01  0.570368D+01  0.604143D+01 -0.152639D+02
      3   0.248005D-01  0.474067D+01 -0.435918D+01 -0.994027D+00 -0.918112D+00
                26            27            28            29            30 
      1   0.392664D+00  0.403637D+01  0.684639D+01 -0.696436D+00 -0.745743D+00
      2   0.445082D+01  0.914199D-01 -0.297213D+02 -0.503523D+01 -0.157027D+01
      3  -0.236758D+01 -0.293125D+01  0.153400D+02  0.572615D+01  0.240618D+00
                31            32            33            34            35 
      1  -0.402063D+01  0.131258D+01 -0.207359D+01 -0.255822D+01  0.270811D+01
      2  -0.148817D+02 -0.432206D+01 -0.222143D+00 -0.220271D+02 -0.321836D+01
      3   0.335142D+02  0.869298D+01 -0.157845D+01  0.328287D+01  0.143965D+01
                36            37            38            39            40 
      1  -0.385753D+01 -0.710128D+01  0.141516D+01  0.133680D+01  0.476260D+01
      2   0.407339D-01  0.228101D+02  0.539176D+01  0.435217D+01  0.140920D+02
      3   0.782588D+00 -0.222789D+02 -0.106874D+02  0.243548D+00 -0.117717D+01
                41            42            43            44            45 
      1  -0.654121D-02 -0.102271D+01  0.832210D+01  0.174141D+01  0.255377D+00
      2   0.594997D+01 -0.543516D+01 -0.108820D+02 -0.629236D+01  0.913523D+01
      3  -0.230556D+01 -0.345082D+01 -0.275641D+01 -0.525494D+01  0.386723D+01
                46            47            48            49            50 
      1   0.572303D+01 -0.748371D+01 -0.129001D+01 -0.393412D+01  0.837469D+01
      2  -0.725047D+01 -0.578989D+01 -0.863501D+01 -0.506355D+01  0.143336D+00
      3   0.151367D+02  0.157079D+02  0.248305D+00  0.239281D+02  0.659499D+01
                51            52            53            54            55 
      1  -0.103866D+02 -0.340731D+00 -0.256609D+00 -0.111866D+02 -0.334228D+01
      2  -0.272995D+01 -0.177847D+02  0.200596D+00 -0.472221D+01  0.653187D+01
      3   0.209772D+01  0.107222D+01 -0.662499D+00 -0.592969D+00 -0.117533D+02
                56            57            58            59            60 
      1   0.143069D+01 -0.976334D+00 -0.245308D+01 -0.339201D+01 -0.906494D+00
      2   0.850019D+00  0.171401D+02  0.603842D+01 -0.246177D+01  0.816155D+01
      3  -0.191410D+02  0.245836D+01 -0.145958D+02 -0.169987D+02  0.438133D+01
                61            62            63            64            65 
      1   0.566324D+00  0.315873D+01  0.362607D+01  0.684906D+01 -0.105115D+01
      2   0.292154D+01  0.331726D+01 -0.127100D+02  0.954029D+01 -0.202215D+01
      3   0.465906D+01  0.872798D+01 -0.468801D+01 -0.785307D+01 -0.193087D+02
                66            67            68            69            70 
      1  -0.509781D+01 -0.657944D+00  0.547120D+01  0.187066D+01 -0.778036D+01
      2  -0.358147D+01 -0.207383D+01  0.520881D+01  0.298588D+01 -0.107264D+02
      3  -0.530523D+01 -0.100239D+02 -0.397304D+01 -0.498417D+01 -0.285380D+01
                71            72            73            74            75 
      1   0.818326D+01 -0.127035D+02 -0.246153D+00 -0.255950D+01  0.305092D+01
      2   0.547309D+01 -0.136786D+02  0.180982D+01  0.126726D+02 -0.574192D+01
      3  -0.434348D+01  0.699559D-02  0.581390D+01 -0.161597D+02 -0.128425D+02
                76            77            78            79            80 
      1  -0.289146D+01 -0.419900D+00 -0.271656D+01  0.492761D+01  0.166699D+01
      2   0.162470D+02  0.380274D+01  0.159512D+01 -0.169501D+02 -0.816535D+00
      3  -0.890772D+01 -0.419950D+01 -0.169072D+01 -0.152358D+02 -0.795130D+00
                81            82            83            84            85 
      1   0.147827D+01 -0.125429D-01  0.495957D+01 -0.134758D+01  0.495047D+01
      2  -0.318850D+01 -0.206162D+01 -0.805784D+01  0.253305D+00 -0.114281D+02
      3  -0.525750D+01 -0.802205D+01  0.481608D+01  0.507831D+01  0.142681D+02
                86            87            88            89            90 
      1  -0.422800D+00  0.652985D+01 -0.935911D+00  0.149736D+02  0.991895D+00
      2  -0.406886D+01 -0.492688D+01 -0.290873D+01 -0.562813D+01 -0.260013D+01
      3   0.753007D+01 -0.270962D+01  0.703905D+01 -0.287339D+01  0.816599D+01
                91            92            93            94            95 
      1  -0.205310D+01  0.512860D+01  0.378574D+01 -0.230168D+01  0.729548D+01
      2  -0.255272D+01 -0.448535D-01  0.176536D+02 -0.976836D+00 -0.413630D+01
      3   0.649353D+01 -0.993506D+01  0.288142D+01 -0.658295D+00 -0.164926D+02
                96            97            98            99           100 
      1  -0.708786D+01 -0.102503D+01  0.421794D+01 -0.405426D+01 -0.208030D+01
      2  -0.993166D+01  0.826557D+01 -0.694446D+01 -0.570182D+01  0.509541D+01
      3   0.910950D+00  0.221658D+01 -0.361166D+01  0.460740D+01  0.475481D+01
               101           102           103           104           105 
      1   0.152757D+01 -0.189172D+01  0.111580D+01 -0.167266D+01  0.368602D+00
      2  -0.177198D+01  0.822459D+01 -0.348842D+01  0.169957D+01 -0.374794D+01
      3  -0.372434D+01  0.382425D+01 -0.186729D+01  0.481065D+01 -0.296325D+01
               106           107           108           109           110 
      1  -0.320681D+01  0.309465D+01 -0.342086D+01  0.261886D+01  0.394964D+00
      2   0.766057D+01 -0.918757D+00  0.137268D+02 -0.867713D+01 -0.396147D+01
      3   0.626745D+01 -0.603786D+01  0.410717D+01 -0.495734D+00 -0.490278D+01
               111           112           113           114           115 
      1  -0.265319D+01  0.187029D+01  0.834452D+00 -0.215114D+01 -0.291213D+01
      2   0.914844D+01 -0.521696D+01 -0.389917D+01  0.390516D+01  0.952934D+01
      3   0.124893D+01 -0.163924D+01 -0.490251D+01  0.201105D+01  0.222993D+01
               116           117           118           119           120 
      1   0.389986D+00  0.329061D+01 -0.597438D+00  0.922186D-01  0.113278D+00
      2   0.338777D+01 -0.108742D+02  0.240246D+01  0.576404D+00  0.597097D+00
      3   0.567711D+01 -0.327237D+00  0.874525D+00 -0.932206D+00  0.313157D+00
               121           122           123           124           125 
      1  -0.134737D+01 -0.266184D+01  0.668071D+00 -0.893328D+00  0.429149D+01
      2   0.181579D+01  0.609155D+00 -0.257051D+01 -0.370674D+01 -0.156731D+01
      3   0.156902D+01  0.958741D+00 -0.115779D+01  0.204740D-01 -0.159385D+01
               126           127           128           129           130 
      1  -0.252892D+01  0.230396D+01 -0.204207D+01  0.234741D+01 -0.158285D+01
      2   0.527268D+01 -0.734621D+00  0.822775D+00  0.534756D+00  0.110328D+01
      3   0.196316D+01 -0.334806D+01  0.227859D+01 -0.274739D+01  0.403697D+01
               131           132           133           134           135 
      1   0.699136D+01 -0.703054D+01  0.930114D+00 -0.583288D+01  0.843957D+01
      2  -0.195646D+01  0.227678D+01 -0.717470D+00  0.317597D+01 -0.299479D+01
      3  -0.106976D+02  0.380159D+01 -0.485621D+01  0.668822D+01 -0.489712D+01
               136           137           138           139           140 
      1  -0.106023D+01 -0.626328D+00  0.104156D+00 -0.567933D+00 -0.611260D+00
      2   0.170386D+01  0.628103D-01  0.258716D+00  0.157330D+00  0.455803D+01
      3  -0.806165D+00 -0.121995D+00  0.960937D+00  0.144083D+01 -0.749259D+01
               141           142           143           144           145 
      1  -0.504991D+01 -0.149686D+00 -0.279882D+01 -0.931974D+01 -0.151112D+01
      2   0.461664D+01 -0.267289D+01  0.685033D+01  0.965128D+01 -0.407922D+01
      3  -0.420552D+01  0.239317D+01 -0.650725D+01 -0.723550D+01 -0.152191D+01
               146           147           148           149           150 
      1   0.279412D+01 -0.261075D+00  0.256733D+01 -0.142054D+02  0.196199D+01
      2   0.218285D+01 -0.137143D+01  0.411908D+01 -0.702531D+01  0.576668D+01
      3   0.975040D+00 -0.365855D+00  0.392276D+01 -0.862550D+01  0.371268D+01
               151           152           153           154           155 
      1  -0.403139D+00  0.451319D+01 -0.302662D+01  0.189178D+01 -0.335371D+01
      2  -0.261489D+01  0.339346D+01 -0.260903D+01  0.471898D+01 -0.128351D+01
      3  -0.694913D+00  0.252302D+01 -0.248228D+01  0.123101D+01 -0.385389D+01
               156           157           158           159           160 
      1   0.155076D+00 -0.144871D+01  0.116470D+01  0.837619D+00 -0.878225D+00
      2   0.349383D+01 -0.204552D+01 -0.117090D+01 -0.176719D+01 -0.300755D+01
      3  -0.686155D+00 -0.611432D+00  0.158766D+01  0.231917D+01 -0.832304D-01
               161           162           163           164           165 
      1   0.318322D+01  0.364895D+00  0.280932D+01  0.480705D+01  0.252984D+00
      2  -0.327259D+00 -0.190662D+01 -0.144521D+02 -0.624406D+01 -0.637338D+01
      3   0.236239D+01  0.100146D+01  0.644819D+01  0.274998D+01  0.274985D+01
               166           167           168           169           170 
      1   0.284542D+01  0.397758D+01  0.485370D+00  0.803289D+00  0.291887D+01
      2  -0.692871D+01 -0.683343D+01 -0.498392D+01 -0.570337D+01 -0.345731D+01
      3   0.531291D+01  0.358326D+01  0.344524D+01  0.155263D+01  0.131724D+01
               171           172           173           174           175 
      1   0.130307D+01  0.155176D+01 -0.237309D+00  0.277098D+01 -0.768134D+00
      2  -0.522857D+01  0.149690D+01 -0.583298D+00  0.342180D+01 -0.348430D+00
      3   0.268705D+01  0.497118D+00  0.165365D+00 -0.842257D+00  0.130727D+01
               176           177           178           179           180 
      1   0.186258D+01 -0.237637D+01  0.384730D+01 -0.192479D+00  0.161508D+02
      2   0.218162D+01 -0.160329D+01  0.166140D+01 -0.446818D+01  0.174367D+02
      3   0.896378D+00 -0.176915D+01 -0.161688D+01 -0.498132D+01  0.216663D+01
               181           182           183           184           185 
      1  -0.192982D+01 -0.826123D+00 -0.336820D+01 -0.987917D+00 -0.218396D+01
      2  -0.146572D+01 -0.657271D+00 -0.369522D+00 -0.239442D+00 -0.145585D+01
      3   0.142972D+02  0.138517D+02  0.304094D+01  0.103752D+02  0.164986D+02
               186           187           188           189           190 
      1  -0.396001D+01 -0.816108D+00 -0.107621D+01 -0.701744D+00 -0.485236D+01
      2  -0.115653D+01 -0.135030D+01 -0.227335D+01 -0.264878D+00 -0.563636D+01
      3   0.286145D+01  0.289780D+01  0.420877D+01  0.347401D+01 -0.405237D+01
               191           192           193           194           195 
      1   0.163360D+01  0.529331D+01  0.240565D+01 -0.227356D+01 -0.284819D+01
      2   0.270792D+01  0.739392D+01  0.173526D+01 -0.289645D+01 -0.262944D+01
      3  -0.276225D+01  0.204509D+01  0.215504D+01  0.246904D+01  0.886458D+00
               196           197           198           199           200 
      1   0.404124D+01 -0.113840D+01 -0.327890D+01  0.303603D+00  0.340610D+00
      2   0.461296D+01 -0.314688D+01 -0.446622D+01 -0.491831D+00 -0.504319D+00
      3   0.174407D+01  0.373091D+01 -0.429807D+00  0.680018D+00  0.461691D+00
               201           202           203           204           205 
      1   0.232307D+00  0.434242D+01  0.691176D+00 -0.286630D+01  0.233140D+01
      2  -0.259378D+00  0.141855D+01  0.132216D+01 -0.814574D+00 -0.262700D+01
      3  -0.871697D+00  0.280711D+01  0.151984D+00 -0.313426D+00 -0.232586D+01
               206           207           208           209           210 
      1   0.133795D+01  0.348055D+01 -0.990998D+00  0.458373D+00  0.771218D-01
      2   0.110590D+00  0.260624D+01 -0.992649D+00  0.302842D+00  0.157146D+00
      3  -0.941850D+00  0.532936D+00 -0.178570D+01 -0.502316D+00  0.207130D+00
               211           212           213           214           215 
      1   0.199991D+01 -0.184746D+01 -0.406061D+00  0.100478D+01  0.377527D+01
      2   0.491869D+00 -0.383158D+01  0.508351D+01 -0.358609D+01  0.440693D+01
      3   0.321115D+01 -0.345919D+01  0.383743D+01  0.420667D+00  0.436144D+01
               216           217           218           219           220 
      1   0.626906D+00  0.112244D-01 -0.221831D+01 -0.109251D-01  0.357639D+00
      2  -0.100641D+02  0.870649D+00  0.219486D+01 -0.246026D+01  0.367254D+00
      3  -0.504517D+01  0.240223D+01  0.444336D+01 -0.106964D+01  0.188358D+01
               221           222           223           224           225 
      1  -0.115844D+02 -0.627660D+00  0.157144D+01 -0.759749D+00 -0.485589D+00
      2   0.421590D+01 -0.401756D+01 -0.480084D+00 -0.202696D+01  0.201083D+01
      3   0.261464D+02 -0.289838D+01 -0.143890D+01  0.159154D+01  0.223890D+01
               226           227           228           229           230 
      1   0.615279D+00 -0.185966D+01 -0.365665D+01  0.306900D+00  0.187939D+01
      2   0.671037D+01 -0.179520D+01 -0.120101D+02 -0.176358D+01  0.542080D+01
      3  -0.143972D+01  0.196236D+01 -0.338681D-01  0.119411D+01 -0.856288D+00
               231           232           233           234           235 
      1   0.326513D+01 -0.195991D+01  0.347173D+01  0.629494D+01  0.137686D+01
      2   0.838822D+01 -0.719995D+01  0.416701D+01  0.220973D+02 -0.138287D+01
      3  -0.396502D+01  0.136160D+00 -0.312722D+01 -0.244087D+01 -0.436529D+01
               236           237           238           239           240 
      1   0.188336D+01  0.108186D+01  0.608325D+00 -0.182395D+00 -0.276941D+00
      2  -0.280180D+00  0.612779D+01  0.468866D+00  0.437865D+00  0.173623D+01
      3  -0.607663D+01 -0.119951D+01 -0.195840D+01  0.590018D+00 -0.785372D+00
               241           242           243 
      1   0.674777D+00  0.114795D+01  0.867441D+00
      2   0.387701D+00  0.934006D+00  0.257914D+01
      3  -0.163666D+01 -0.941451D+00 -0.143256D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.337538D+01  0.127164D+02  0.169950D+02  0.115335D+02  0.143238D+02
      2   0.769641D+01 -0.939646D+01 -0.163052D+02 -0.926050D+01  0.119655D+01
      3  -0.110718D+02 -0.331992D+01 -0.689791D+00 -0.227297D+01 -0.155204D+02
      4   0.130077D+02  0.345790D+01 -0.676533D+01  0.527431D+01 -0.148230D+02
      5   0.247384D+02 -0.124411D+02 -0.250166D+02 -0.136956D+02  0.397476D+01
      6  -0.141160D+02 -0.813493D+01  0.239436D+01 -0.714886D+01  0.105724D+02
                 6             7             8             9            10 
      1  -0.111046D+00  0.129717D+02 -0.105144D+00 -0.164053D+02 -0.204942D+02
      2   0.329669D+01 -0.122657D+02  0.200064D+01 -0.235073D+01  0.173583D+02
      3  -0.318564D+01 -0.705929D+00 -0.189549D+01  0.187560D+02  0.313589D+01
      4   0.953050D+01 -0.708117D+01  0.812647D+01  0.649197D+01 -0.345364D+02
      5   0.446984D+01 -0.233268D+02  0.571118D+01 -0.257616D+01 -0.115570D+02
      6  -0.119537D+02  0.311820D+01 -0.102492D+02 -0.106739D+01  0.932501D+01
                11            12            13            14            15 
      1  -0.183696D+02 -0.773149D+01 -0.234114D+02 -0.223096D+02 -0.958797D+01
      2   0.134979D+02  0.513345D+01  0.167408D+02  0.201753D+01  0.572269D+01
      3   0.487165D+01  0.259804D+01  0.667063D+01  0.202921D+02  0.386528D+01
      4  -0.346714D+01  0.297718D+01 -0.554349D+01  0.265463D+01 -0.129391D+02
      5   0.147351D+00  0.115668D+02  0.166537D+01 -0.874222D+01 -0.545862D+01
      6  -0.200963D+01 -0.225355D+01  0.727489D+00  0.708150D+01  0.500123D+01
                16            17            18            19            20 
      1  -0.661263D-01 -0.880503D+01  0.986569D+01  0.626164D+02  0.105254D+02
      2  -0.513378D+01  0.811148D+01  0.143303D+01 -0.524978D+02 -0.105653D+02
      3   0.519991D+01  0.693548D+00 -0.112987D+02 -0.101187D+02  0.398662D-01
      4   0.797167D+01 -0.157141D+02 -0.119928D+02  0.181328D+02 -0.120643D+02
      5   0.116196D+02 -0.865844D+01  0.143971D+02 -0.191880D+02 -0.715221D+01
      6  -0.632197D+01  0.489246D+01 -0.571275D+01 -0.227805D+02 -0.563636D+01
                21            22            23            24            25 
      1   0.119235D+01  0.103145D+02  0.101087D+02 -0.134807D+01  0.248664D+01
      2  -0.174867D+01 -0.126320D+02 -0.725210D+01 -0.674802D+01  0.142142D+01
      3   0.556321D+00  0.231747D+01 -0.285661D+01  0.809609D+01 -0.390806D+01
      4  -0.678198D+01 -0.257260D+02 -0.664536D+01  0.233983D+01 -0.128433D+02
      5  -0.104654D+01 -0.118588D+02 -0.493024D+01  0.609037D+01 -0.678629D+01
      6  -0.125845D+01 -0.100224D+02 -0.611753D+01 -0.214744D+01 -0.100168D+01
                26            27            28            29            30 
      1  -0.124353D+01  0.617182D+01 -0.133772D+03 -0.135580D+02  0.537305D+01
      2  -0.756502D+01  0.662826D+01  0.855540D+02  0.775123D+01 -0.466205D+01
      3   0.880855D+01 -0.128001D+02  0.482176D+02  0.580673D+01 -0.710998D+00
      4   0.406648D+01  0.840759D+01 -0.217445D+02 -0.909032D+01  0.916544D+00
      5   0.453381D+01 -0.418052D+01  0.353447D+02  0.308146D+01 -0.112819D+02
      6  -0.980902D+00  0.702123D+01  0.259561D+02  0.539997D+01 -0.298059D+00
                31            32            33            34            35 
      1  -0.417595D+02 -0.279305D+02 -0.591324D+01  0.278249D+02 -0.337832D+01
      2   0.290125D+02  0.216857D+02  0.352009D+01 -0.145440D+02  0.579176D+01
      3   0.127471D+02  0.624480D+01  0.239315D+01 -0.132809D+02 -0.241344D+01
      4  -0.166307D+02 -0.122767D+02 -0.337751D+01  0.389344D+01 -0.377640D+01
      5   0.775288D+01  0.247248D+01 -0.400907D-01 -0.102410D+02  0.167221D+01
      6   0.770062D+01  0.106351D+02  0.404029D+01 -0.114952D+00  0.212639D+01
                36            37            38            39            40 
      1  -0.135923D+02  0.187727D+03  0.327456D+02 -0.163018D+02  0.373639D+02
      2   0.278547D+01 -0.108647D+03 -0.189479D+02  0.106757D+02 -0.176499D+02
      3   0.108068D+02 -0.790804D+02 -0.137978D+02  0.562611D+01 -0.197140D+02
      4   0.626109D+00  0.412215D+02  0.181244D+02 -0.177130D+00  0.320524D+02
      5   0.309167D-01 -0.513035D+02 -0.463749D+01  0.126580D+02 -0.117688D+01
      6   0.524963D+01 -0.253442D+02 -0.572265D+01  0.770502D+00 -0.107382D+02
                41            42            43            44            45 
      1   0.106378D+02 -0.952422D+01 -0.738317D+01 -0.850861D+01  0.110447D+02
      2   0.546145D+00 -0.206197D+01  0.112837D+02  0.358797D+01 -0.560647D+01
      3  -0.111840D+02  0.115862D+02 -0.390056D+01  0.492064D+01 -0.543820D+01
      4   0.758196D+01  0.786221D+00  0.929220D+01  0.671137D+01 -0.939218D+01
      5   0.109291D+01 -0.123506D+02  0.183987D+02 -0.806972D+01  0.605523D+01
      6  -0.451316D+00  0.106979D+01  0.106535D+01 -0.248228D+00  0.969367D+01
                46            47            48            49            50 
      1  -0.176187D+03 -0.365349D+02  0.301861D+02 -0.614652D+02 -0.213047D+02
      2   0.923526D+02  0.160857D+02 -0.156598D+02  0.312010D+02  0.115220D+02
      3   0.838344D+02  0.204492D+02 -0.145264D+02  0.302642D+02  0.978273D+01
      4  -0.627570D+02 -0.315701D+02  0.109276D+02 -0.194102D+02 -0.119985D+02
      5   0.630449D+02  0.149875D+02 -0.262971D+02  0.279238D+02  0.192040D+01
      6   0.214327D+02  0.315071D+01 -0.542446D+01  0.140789D+00  0.697321D+01
                51            52            53            54            55 
      1   0.115129D+02  0.371511D+02  0.121360D+02 -0.151350D+02  0.185815D+03
      2  -0.959651D+01 -0.136248D+02 -0.156377D+00  0.114089D+02 -0.948094D+02
      3  -0.191638D+01 -0.235263D+02 -0.119796D+02  0.372610D+01 -0.910052D+02
      4   0.270033D+00  0.219387D+02 -0.101333D+01  0.396088D+01  0.557959D+02
      5   0.255298D+01 -0.172920D+02  0.510211D+01 -0.893115D+01 -0.607489D+02
      6   0.101597D+01  0.423238D+01 -0.212228D+01  0.506037D+01 -0.116227D+02
                56            57            58            59            60 
      1   0.366441D+02 -0.327076D+02  0.725947D+02  0.315180D+02 -0.590166D+01
      2  -0.135912D+02  0.208754D+02 -0.310670D+02 -0.473505D+01  0.160078D+01
      3  -0.230529D+02  0.118323D+02 -0.415276D+02 -0.267829D+02  0.430088D+01
      4   0.384588D+02 -0.110817D+02  0.610514D+02  0.425718D+02 -0.157272D+02
      5  -0.132237D+02  0.375626D+02 -0.215675D+02 -0.176172D+02  0.121498D+02
      6  -0.546983D+01  0.512526D+01 -0.111476D+02 -0.866214D+01  0.903071D+01
                61            62            63            64            65 
      1  -0.814148D+02 -0.123204D+02  0.258447D+02 -0.201979D+01  0.317133D+02
      2   0.477792D+02  0.522483D+01 -0.230482D+02 -0.132283D+02 -0.261486D+02
      3   0.336356D+02  0.709561D+01 -0.279645D+01  0.152481D+02 -0.556468D+01
      4  -0.242858D+02 -0.141288D+02  0.138894D+02  0.311376D+02 -0.123295D+02
      5   0.595755D+02  0.158904D+02 -0.378026D+02  0.141995D+02 -0.505244D+01
      6   0.115486D+02  0.952488D+01 -0.584487D+01 -0.141423D+02  0.263473D+01
                66            67            68            69            70 
      1   0.163047D+02  0.275625D+02  0.706619D+01  0.867559D+00  0.149712D+02
      2  -0.663398D+01 -0.227338D+02  0.226513D+01 -0.801320D+01 -0.124612D+01
      3  -0.967071D+01 -0.482867D+01 -0.933132D+01  0.714564D+01 -0.137250D+02
      4  -0.139336D+02 -0.648824D+01 -0.146925D+02  0.103983D+02 -0.186488D+02
      5  -0.105187D+02 -0.508568D+01  0.103415D+02  0.555522D+01 -0.133064D+02
      6   0.797616D+01  0.393445D+01 -0.105594D+02 -0.434812D+01  0.117558D+02
                71            72            73            74            75 
      1  -0.139724D+01 -0.721115D+01 -0.597124D+01 -0.921161D+01 -0.267789D+01
      2  -0.986766D+01  0.609323D+01  0.403512D+01  0.364532D+01  0.775325D+01
      3   0.112649D+02  0.111792D+01  0.193612D+01  0.556629D+01 -0.507536D+01
      4   0.121965D+02  0.165420D+02 -0.863623D+01  0.568518D+01  0.163322D+02
      5   0.106406D+02 -0.284240D+02  0.586343D+01  0.166499D+02 -0.204346D+02
      6  -0.556044D+01  0.196710D+02  0.318511D+01  0.854286D+01  0.723567D+00
                76            77            78            79            80 
      1  -0.112528D+02  0.208163D+02  0.273019D+02  0.220292D+01  0.278737D+02
      2   0.569056D+01 -0.880017D+01 -0.151636D+02  0.855473D+01 -0.160674D+02
      3   0.556228D+01 -0.120161D+02 -0.121383D+02 -0.107576D+02 -0.118063D+02
      4   0.140704D+02  0.147131D+02  0.118309D+02  0.291593D+02  0.159199D+02
      5   0.273877D+02  0.816011D+01  0.596571D+01 -0.283174D+02  0.419611D+01
      6   0.813241D+01  0.172556D+01 -0.835916D+00 -0.140065D+01 -0.343763D+00
                81            82            83            84            85 
      1  -0.218754D+02 -0.361923D+02  0.313369D+01  0.950115D+01  0.382355D+01
      2   0.153672D+02  0.334968D+02  0.876811D+01 -0.814670D+01  0.894374D+01
      3   0.650812D+01  0.269550D+01 -0.119018D+02 -0.135445D+01 -0.127673D+02
      4   0.402486D+00  0.170048D+02  0.167207D+02  0.104038D+01  0.219584D+02
      5  -0.108597D+02  0.122344D+02  0.324854D+01  0.247459D+01  0.316002D+01
      6   0.460498D+01  0.178287D+02 -0.293241D+00  0.108467D+00  0.211819D+01
                86            87            88            89            90 
      1   0.701905D+01 -0.436561D+01  0.228725D+02 -0.311249D+00  0.203673D+02
      2  -0.759464D+00  0.123229D+02 -0.190533D+02  0.111679D+02 -0.167946D+02
      3  -0.625959D+01 -0.795732D+01 -0.381919D+01 -0.108567D+02 -0.357275D+01
      4   0.368489D+01 -0.424075D+01 -0.129685D+01 -0.801614D+01 -0.131918D+02
      5   0.301543D+01 -0.110648D+02 -0.586046D+00 -0.158787D+02 -0.605506D+01
      6   0.658245D+00 -0.154338D+02 -0.531840D+01 -0.247403D+02 -0.161608D+02
                91            92            93            94            95 
      1  -0.577397D+02  0.352175D+00 -0.316552D+02 -0.996697D+01  0.215717D+02
      2   0.352984D+02 -0.584462D+01  0.771887D+01  0.304507D+01 -0.224943D+02
      3   0.224413D+02  0.549244D+01  0.239364D+02  0.692190D+01  0.922588D+00
      4   0.121254D+01  0.151893D+02 -0.324684D+00  0.109402D+02  0.246159D+02
      5  -0.287533D+02 -0.232353D+01  0.106618D+02 -0.684710D+01  0.259586D+01
      6  -0.413448D+00  0.502751D+01 -0.288130D+00  0.385420D+01  0.719312D+01
                96            97            98            99           100 
      1   0.303987D+01 -0.179367D+02  0.477685D+01  0.175455D+02  0.374345D+02
      2   0.818819D+01  0.308868D+01  0.271808D+00 -0.383857D+01 -0.242971D+02
      3  -0.112281D+02  0.148480D+02 -0.504866D+01 -0.137069D+02 -0.131373D+02
      4   0.210859D+00 -0.363450D+01  0.554461D+01 -0.137815D+02  0.188461D+01
      5  -0.132922D+02  0.138583D+02 -0.116098D+02  0.463968D+01  0.252381D+02
      6   0.227817D+01 -0.237765D+01  0.594203D+01 -0.938328D+01 -0.245129D-01
               101           102           103           104           105 
      1  -0.146558D+01  0.165828D+02 -0.107239D+02  0.310123D+01 -0.773069D+01
      2   0.166239D+01 -0.130011D+02  0.748640D+01 -0.267925D+01  0.615626D+01
      3  -0.196815D+00 -0.358167D+01  0.323748D+01 -0.421980D+00  0.157442D+01
      4   0.628830D+01 -0.175235D+01  0.731276D+01 -0.660912D+01  0.464945D+01
      5  -0.376855D+01  0.218241D+02 -0.108362D+02  0.627714D+01 -0.883958D+01
      6   0.105008D+01  0.129652D+01  0.202804D+01 -0.172764D+01  0.326050D+01
               106           107           108           109           110 
      1   0.271411D+02 -0.489148D+01  0.170637D+02  0.509388D+02  0.147197D+02
      2  -0.222753D+02  0.463341D+01 -0.203886D+02 -0.235303D+02 -0.439018D+01
      3  -0.486585D+01  0.258067D+00  0.332487D+01 -0.274086D+02 -0.103295D+02
      4  -0.203458D+01  0.756387D+01 -0.121173D+00  0.270124D+02  0.156645D+02
      5   0.331656D+02 -0.283205D+01  0.351906D+02 -0.168738D+02 -0.737229D+01
      6   0.129737D+01  0.385530D+01  0.183597D+01 -0.632636D+01 -0.324392D+01
               111           112           113           114           115 
      1  -0.136311D+02  0.167397D+02  0.673891D+01 -0.696014D+01 -0.294283D+02
      2   0.599039D+01 -0.452251D+01  0.201132D+01  0.242211D+01  0.135993D+02
      3   0.764072D+01 -0.122172D+02 -0.875023D+01  0.453803D+01  0.158289D+02
      4  -0.987112D+01  0.197300D+02  0.162840D+02 -0.899761D+01 -0.196675D+02
      5   0.160040D+02 -0.906221D+01 -0.749214D+01  0.589486D+01  0.240972D+02
      6   0.388777D+01 -0.462861D+01 -0.317217D+01  0.451189D+01  0.734536D+01
               116           117           118           119           120 
      1  -0.105829D+02  0.150765D+02  0.978874D+00 -0.721209D+00  0.188173D+01
      2   0.334056D+01 -0.100954D+02 -0.331038D+01  0.353875D+00 -0.284895D+00
      3   0.724229D+01 -0.498112D+01  0.233151D+01  0.367334D+00 -0.159684D+01
      4  -0.154356D+02  0.103085D+02 -0.172973D+01  0.261830D+01 -0.149821D+00
      5   0.751833D+01 -0.188933D+02  0.136229D+01 -0.920154D+00  0.564400D+01
      6   0.514612D+01 -0.706103D+01 -0.155477D+01  0.712187D-01  0.287758D+00
               121           122           123           124           125 
      1   0.134944D+01 -0.651180D+01  0.709072D+01  0.990693D-02  0.453757D+01
      2  -0.130522D+00  0.165866D+01  0.738349D+00 -0.734228D+00  0.256573D+01
      3  -0.121892D+01  0.485314D+01 -0.782907D+01  0.724321D+00 -0.710330D+01
      4   0.291758D+01 -0.276101D+01  0.253215D+01 -0.256777D+00  0.467776D+01
      5  -0.150697D+01  0.208259D+01 -0.434449D+01  0.539168D+01 -0.284994D+01
      6   0.406872D+00 -0.511327D+01  0.701828D+01 -0.370799D+00  0.600861D+01
               126           127           128           129           130 
      1  -0.187807D+02 -0.112181D+01  0.736971D+01 -0.327903D+01  0.557659D+01
      2  -0.990464D+01  0.289851D+01 -0.104143D+02  0.355688D+01 -0.561073D+01
      3   0.286853D+02 -0.177669D+01  0.304458D+01 -0.277857D+00  0.341447D-01
      4  -0.385702D+01 -0.209552D+01  0.112094D+01 -0.189009D+01  0.374253D+01
      5   0.103866D+02 -0.165296D+01  0.389745D+00 -0.545640D+00  0.579148D+00
      6  -0.588326D+01 -0.431783D+01  0.116088D+01 -0.237580D+01  0.413128D+00
               131           132           133           134           135 
      1  -0.223393D+02  0.616145D+01 -0.663887D+01  0.130029D+02 -0.109301D+02
      2   0.341920D+02 -0.109792D+02  0.437912D+01 -0.212632D+02  0.119994D+02
      3  -0.118526D+02  0.481778D+01  0.225975D+01  0.826036D+01 -0.106933D+01
      4   0.115319D+02 -0.319918D+01 -0.430943D+01 -0.725911D+01  0.433432D+01
      5  -0.517318D+01  0.528553D+01 -0.244500D+00  0.660425D+01 -0.604755D+01
      6  -0.631575D+01  0.953323D+01 -0.473590D+00  0.109519D+02 -0.822480D+01
               136           137           138           139           140 
      1   0.477637D+01  0.415382D+01  0.308744D+01  0.305385D+01 -0.192481D+02
      2  -0.477459D+01 -0.312598D+01 -0.108553D+01 -0.207974D+01  0.182466D+02
      3  -0.178551D-02 -0.102784D+01 -0.200191D+01 -0.974116D+00  0.100152D+01
      4   0.434345D+01  0.472358D+01  0.461363D+01  0.631581D+01  0.146230D+02
      5   0.298967D+01  0.343232D+01  0.549275D+01  0.335933D+01  0.100576D+02
      6   0.329710D+01  0.107672D+00  0.140725D+00  0.301626D+01  0.215128D+02
               141           142           143           144           145 
      1  -0.126238D+02 -0.111348D+01 -0.213472D+02 -0.264506D+02 -0.252234D+01
      2   0.798374D+01  0.135102D+01  0.123340D+02  0.560829D+01 -0.315763D+00
      3   0.464006D+01 -0.237544D+00  0.901314D+01  0.208423D+02  0.283810D+01
      4   0.993042D+01  0.949996D+01  0.154963D+02  0.146042D+02  0.104298D+01
      5   0.102571D+02  0.981803D+01  0.167207D+02  0.212895D+02 -0.173876D+01
      6   0.205567D+02  0.677840D+01  0.298268D+02  0.336691D+02 -0.186732D+01
               146           147           148           149           150 
      1   0.260451D+01 -0.523343D+01  0.379581D+01 -0.129344D+02  0.993937D+01
      2  -0.331057D+00  0.124803D+01 -0.168486D+01  0.520853D+01  0.353904D+01
      3  -0.227345D+01  0.398540D+01 -0.211095D+01  0.772587D+01 -0.134784D+02
      4  -0.930515D-01  0.720997D+00  0.423145D+00  0.178208D+02 -0.768950D+01
      5  -0.921867D+00  0.338961D+01 -0.369011D+01 -0.505894D+01  0.835584D+01
      6   0.407837D+01 -0.207038D+01  0.282178D+01 -0.216377D+02  0.128188D+02
               151           152           153           154           155 
      1  -0.281495D+01  0.636590D+01 -0.629593D+01  0.237190D+02 -0.399587D+01
      2   0.123785D+01  0.119356D+01 -0.225203D+01 -0.222042D+02  0.302915D+01
      3   0.157710D+01 -0.755946D+01  0.854796D+01 -0.151477D+01  0.966729D+00
      4   0.403712D+00 -0.477099D+01  0.449255D+01 -0.119745D+02  0.943744D+01
      5   0.399453D+01  0.317709D+01 -0.317439D+01 -0.382779D+02  0.908751D+01
      6  -0.150719D+01  0.104437D+02 -0.735103D+01  0.821283D+01 -0.653654D+01
               156           157           158           159           160 
      1  -0.781823D+01 -0.472649D+01  0.199262D+00 -0.680157D+00 -0.687508D+01
      2   0.180403D+02  0.378979D+01 -0.161431D+01 -0.345873D+01  0.140872D+02
      3  -0.102221D+02  0.936701D+00  0.141505D+01  0.413889D+01 -0.721216D+01
      4   0.731839D+01  0.838648D+01 -0.549409D+01 -0.732408D+01  0.533534D+01
      5   0.336984D+02  0.100482D+02 -0.819081D+01 -0.948137D+01  0.254401D+02
      6  -0.654239D+01 -0.549395D+01  0.435352D+01  0.817856D+01 -0.485160D+01
               161           162           163           164           165 
      1  -0.331665D+00  0.149831D+01 -0.105137D+02 -0.983102D+01 -0.142371D+02
      2  -0.212876D+01 -0.151048D+02  0.236455D+01  0.512779D+01  0.430594D+00
      3   0.246042D+01  0.136065D+02  0.814912D+01  0.470324D+01  0.138065D+02
      4  -0.473396D+01 -0.627863D+01  0.527767D+00 -0.146485D+01 -0.249668D+00
      5  -0.632690D+01 -0.264367D+02  0.775032D+01  0.431749D+01  0.312663D+01
      6   0.621877D+01  0.668045D+01  0.787137D+01  0.966457D+01  0.699938D+01
               166           167           168           169           170 
      1  -0.902212D+01 -0.131102D+02 -0.982422D+01 -0.783874D+01 -0.550030D+01
      2   0.493343D+01  0.777258D+01  0.159803D+00  0.767881D+00 -0.163983D+00
      3   0.408869D+01  0.533762D+01  0.966441D+01  0.707086D+01  0.566429D+01
      4   0.196364D+00 -0.182311D+01 -0.295926D+01  0.115419D+00 -0.163161D+01
      5   0.628837D+01  0.121725D+01 -0.197163D+01  0.584682D+01  0.572690D-01
      6   0.665174D+01  0.101209D+02  0.102199D+02  0.391419D+01  0.704589D+01
               171           172           173           174           175 
      1  -0.878706D+01  0.479355D+01 -0.448818D+01  0.354890D+01 -0.103649D+01
      2  -0.168245D+01 -0.186727D+01  0.226452D+01 -0.281840D+01  0.318426D+00
      3   0.104695D+02 -0.292629D+01  0.222366D+01 -0.730500D+00  0.718063D+00
      4  -0.144466D+01 -0.811910D+01  0.562716D+01 -0.398312D+01  0.359405D+01
      5   0.659668D+00  0.639168D+01 -0.229868D+01  0.103683D+02 -0.102207D+01
      6   0.634074D+01 -0.304481D+01  0.171803D+01 -0.496616D+01  0.189676D+01
               176           177           178           179           180 
      1  -0.328002D+01  0.293125D+01  0.503371D+01  0.470081D+01 -0.534097D+01
      2   0.271085D+01 -0.385477D+01 -0.380382D+01 -0.654753D+01 -0.733127D+01
      3   0.569172D+00  0.923519D+00 -0.122989D+01  0.184671D+01  0.126722D+02
      4  -0.213482D+01  0.534674D+01 -0.906089D+01  0.125001D+02 -0.139223D+02
      5   0.492944D+01 -0.361170D+01  0.153604D+02 -0.109326D+02  0.374971D+02
      6  -0.449244D+01  0.801919D+01 -0.878597D+01  0.129939D+02 -0.291755D+02
               181           182           183           184           185 
      1  -0.139705D+02 -0.237775D+02 -0.530524D+01 -0.144600D+02 -0.258373D+02
      2   0.145825D+02  0.283871D+02  0.402778D+01  0.146822D+02  0.346936D+02
      3  -0.612020D+00 -0.460960D+01  0.127746D+01 -0.222189D+00 -0.885633D+01
      4   0.532116D+01 -0.161101D+01  0.249465D+01  0.508858D+01 -0.666118D+01
      5  -0.299283D+01 -0.666953D+00 -0.135742D+01 -0.738076D+00 -0.300340D+01
      6   0.318596D+01  0.145478D+01  0.527891D+01  0.890801D+00  0.333894D+01
               186           187           188           189           190 
      1  -0.403706D+01 -0.556423D+01 -0.556480D+01 -0.540152D+01  0.421520D+02
      2   0.537061D+01  0.295642D+01  0.827945D+01  0.451263D+01 -0.108805D+02
      3  -0.133355D+01  0.260781D+01 -0.271465D+01  0.888888D+00 -0.312715D+02
      4  -0.142910D+01  0.374319D+01 -0.417694D+01 -0.195690D+01 -0.452614D+02
      5  -0.304885D+01  0.118485D+01 -0.319645D+01  0.840389D+00 -0.141644D+02
      6   0.611970D+01  0.179840D+01  0.690122D+01  0.175141D+01  0.890119D+01
               191           192           193           194           195 
      1  -0.148490D+02 -0.114186D+02 -0.114041D+02  0.398722D+01  0.122504D+01
      2  -0.218972D+01  0.409933D+01 -0.991058D+00  0.726037D+01  0.308429D+01
      3   0.170387D+02  0.731929D+01  0.123951D+02 -0.112476D+02 -0.430933D+01
      4   0.302710D+02  0.122540D+02  0.217182D+02 -0.185141D+02 -0.796527D+01
      5   0.575204D+01  0.132608D+02  0.503404D+01 -0.563236D+01 -0.428754D+01
      6  -0.491990D+01 -0.883045D+01 -0.371993D+01  0.521701D+01  0.491477D+01
               196           197           198           199           200 
      1  -0.154708D+02  0.286414D+01  0.675994D+01 -0.931740D-01 -0.197036D+01
      2   0.390018D+01  0.542179D+01 -0.311143D+01  0.926792D+00  0.164482D+01
      3   0.115707D+02 -0.828594D+01 -0.364851D+01 -0.833618D+00  0.325534D+00
      4   0.202524D+02 -0.166408D+02 -0.126393D+02 -0.194507D+01  0.177834D+01
      5   0.143129D+02 -0.796413D+01 -0.979658D+01  0.332851D+01 -0.131223D+01
      6  -0.980922D+01  0.715653D+01  0.646363D+01 -0.597181D-01  0.364303D+00
               201           202           203           204           205 
      1   0.221970D+01 -0.209145D+01 -0.278550D+01  0.583477D+01  0.361150D+01
      2  -0.147702D+01 -0.164942D+01  0.325382D+01 -0.326382D+01 -0.309836D+01
      3  -0.742679D+00  0.374086D+01 -0.468315D+00 -0.257094D+01 -0.513132D+00
      4  -0.205138D+01  0.168740D+01 -0.187714D+01  0.316073D+01 -0.226610D+01
      5   0.417896D+01 -0.942911D+00  0.139963D+01 -0.260151D+01  0.395511D+01
      6  -0.339744D+00  0.104840D+00 -0.450249D+01  0.390868D+01 -0.693026D+00
               206           207           208           209           210 
      1   0.634012D+01 -0.675465D+01 -0.500516D+00  0.195692D+01 -0.316313D+01
      2  -0.530770D+01  0.126165D+01 -0.107535D+01 -0.961927D+00  0.719792D+00
      3  -0.103242D+01  0.549299D+01  0.157587D+01 -0.994994D+00  0.244334D+01
      4   0.379381D+01 -0.450272D+01  0.184200D+01  0.232785D+01 -0.211588D+01
      5  -0.373360D+01  0.543316D+01 -0.270273D+01 -0.237269D+01  0.477371D+01
      6   0.430102D+01 -0.656097D+01 -0.255357D+01  0.184268D+00  0.188069D+00
               211           212           213           214           215 
      1   0.293548D+01 -0.906742D+01  0.993930D+01 -0.316286D+01  0.954115D+01
      2  -0.383357D+01  0.382489D+01 -0.614511D+00  0.166471D+01 -0.245694D+01
      3   0.898081D+00  0.524254D+01 -0.932479D+01  0.149815D+01 -0.708421D+01
      4   0.350938D+00  0.534662D+01 -0.534901D+01 -0.289630D+01 -0.557855D+01
      5  -0.385069D+01 -0.645908D+01  0.981644D+01  0.341939D+01  0.781201D+01
      6  -0.709658D-01 -0.776133D+01  0.809614D+01  0.171203D+01  0.898544D+01
               216           217           218           219           220 
      1  -0.208428D+02  0.325032D+01 -0.882580D+01  0.437009D+01 -0.109501D+02
      2  -0.313112D+01  0.452103D+00  0.749333D+01 -0.775758D+00  0.498959D+01
      3   0.239740D+02 -0.370243D+01  0.133246D+01 -0.359433D+01  0.596055D+01
      4   0.670653D+01 -0.294935D+01 -0.333861D+01  0.149402D+01  0.769645D+01
      5  -0.181000D+02  0.411191D+00 -0.978979D-01 -0.382971D+01 -0.656444D+01
      6  -0.111788D+02 -0.127453D+01 -0.292182D+01  0.165553D+01  0.167736D+01
               221           222           223           224           225 
      1  -0.207374D+02  0.159404D+01  0.266168D+01  0.799109D+00 -0.595315D+01
      2   0.328006D+02 -0.667851D+00 -0.125067D+01  0.229489D+01  0.283026D+01
      3  -0.120632D+02 -0.926188D+00 -0.141101D+01 -0.309400D+01  0.312289D+01
      4  -0.457437D+02  0.632031D+01  0.206176D+01 -0.265953D+01 -0.315350D+01
      5   0.395874D+01 -0.972320D+01 -0.124596D+00 -0.331796D+01  0.101021D+01
      6  -0.158637D+02  0.740667D+01  0.121322D+00  0.471437D+01 -0.635520D+00
               226           227           228           229           230 
      1  -0.505889D+01  0.381623D+01  0.164822D+02  0.541937D+01 -0.905293D+01
      2  -0.150298D+01 -0.694436D-01  0.967528D+00 -0.228580D+01  0.348593D+01
      3   0.656188D+01 -0.374679D+01 -0.174497D+02 -0.313357D+01  0.556700D+01
      4   0.413216D+01 -0.544529D+01 -0.757103D+00 -0.157165D+01  0.176802D+01
      5   0.567010D+00  0.925155D+00 -0.984309D+01  0.259313D+01  0.448589D+01
      6   0.155096D+01 -0.353533D+01 -0.425429D+00 -0.151305D+01  0.311215D+01
               231           232           233           234           235 
      1  -0.680246D+01  0.169681D+02 -0.501580D+01 -0.244922D+02  0.839703D+02
      2  -0.379922D+01 -0.555435D+01 -0.158788D+01 -0.968520D+01 -0.467705D+02
      3   0.106017D+02 -0.114137D+02  0.660368D+01  0.341774D+02 -0.371997D+02
      4   0.605946D+01 -0.358377D+01  0.698327D+01  0.585342D+01 -0.132563D+02
      5   0.106231D+02  0.217745D+01  0.399478D+01  0.266193D+02  0.419433D+02
      6   0.624703D+01 -0.116793D+01  0.525064D+01  0.216886D+01 -0.130442D+01
               236           237           238           239           240 
      1  -0.336740D+01  0.213726D+02  0.446475D+01  0.623417D+01  0.894798D+00
      2   0.522613D+00 -0.156072D+02 -0.321618D+01 -0.176439D+01 -0.172932D+01
      3   0.284479D+01 -0.576539D+01 -0.124857D+01 -0.446978D+01  0.834520D+00
      4   0.126710D+02 -0.358849D+01  0.990612D+01 -0.252785D+01  0.328499D+01
      5  -0.184116D+01  0.239850D+02  0.265313D+01  0.431782D+01  0.309934D+01
      6   0.381420D+01 -0.175997D+01  0.342119D+01 -0.501366D+00  0.197162D+01
               241           242           243 
      1   0.128323D+02 -0.711961D+00  0.934483D+01
      2  -0.104559D+02 -0.184813D+00 -0.926878D+01
      3  -0.237636D+01  0.896774D+00 -0.760510D-01
      4  -0.180142D+01  0.195543D+01 -0.385593D+00
      5   0.176520D+02  0.353790D+00  0.126816D+02
      6  -0.187845D+01  0.164937D+01 -0.354913D+00
 Leave Link  716 at Sun Sep 26 20:21:05 2021, MaxMem=  6442450944 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169043D+03  0.861434D+01 -0.454667D+01
      2   0.861434D+01  0.109690D+03 -0.438392D+01
      3  -0.454667D+01 -0.438392D+01  0.110499D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.669692D+01  0.953357D+01  0.279798D+01
      2   0.166880D+02 -0.153217D+02 -0.214393D+02
      3  -0.308862D+02  0.373593D+02  0.217835D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.814724D+02  0.487449D+02 -0.203485D+02
      2  -0.562825D+02 -0.347888D+02 -0.131315D+02
      3  -0.251899D+02 -0.139561D+02  0.334800D+02
      4   0.422015D+02 -0.825959D+02 -0.517067D+02
      5  -0.136471D+02 -0.544825D+02 -0.400311D+02
      6  -0.294554D+02  0.154576D+01  0.335789D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.299112D+01 -0.318492D+01 -0.477346D+01 -0.379565D+01 -0.233965D+01
      2  -0.318492D+01 -0.225734D+01  0.182107D+00 -0.233965D+01  0.339917D+01
      3  -0.477346D+01  0.182107D+00  0.204350D+01  0.473283D+00 -0.300319D+01
                 6             7             8             9            10 
      1   0.473283D+00 -0.407763D+01  0.528146D+00  0.209541D+01 -0.206618D+02
      2  -0.300319D+01  0.528146D+00 -0.240992D+01 -0.122742D+01  0.478908D+01
      3  -0.949919D+00  0.209541D+01 -0.122742D+01  0.270873D+01  0.550931D+01
                11            12            13            14            15 
      1   0.478908D+01  0.550931D+01  0.704155D+01  0.377297D+00 -0.939046D+00
      2   0.200399D+01  0.161350D-02  0.377297D+00 -0.757906D+00  0.246653D+01
      3   0.161350D-02 -0.231894D+01 -0.939046D+00  0.246653D+01  0.178656D+01
                16            17            18            19            20 
      1   0.152539D+02 -0.920522D+00 -0.401537D+01  0.443838D+02  0.193782D+01
      2  -0.920522D+00  0.289322D+01  0.236807D+01  0.193782D+01  0.344328D+01
      3  -0.401537D+01  0.236807D+01 -0.317483D+01 -0.329818D+01  0.139442D+01
                21            22            23            24            25 
      1  -0.329818D+01 -0.224734D+01  0.734427D+01  0.388911D+01 -0.568269D+01
      2   0.139442D+01  0.734427D+01  0.191234D+01  0.608141D+00  0.311182D+01
      3   0.141526D+01  0.388911D+01  0.608141D+00 -0.387189D+01  0.284191D+01
                26            27            28            29            30 
      1   0.311182D+01  0.284191D+01 -0.615065D+02 -0.664933D+01  0.424098D+01
      2   0.503452D+00 -0.325061D+01 -0.664933D+01 -0.328563D+01 -0.193359D+00
      3  -0.325061D+01  0.278131D+01  0.424098D+01 -0.193359D+00 -0.225053D+01
                31            32            33            34            35 
      1  -0.140569D+02 -0.705582D+01 -0.788642D+00  0.853477D+01  0.198953D+00
      2  -0.705582D+01 -0.405496D+01 -0.108777D+01  0.198953D+00 -0.796236D+00
      3  -0.788642D+00 -0.108777D+01  0.208636D+01 -0.468947D+01  0.182411D+01
                36            37            38            39            40 
      1  -0.468947D+01  0.600901D+02  0.916848D+01 -0.549527D+01  0.147661D+02
      2   0.182411D+01  0.916848D+01  0.273749D+01  0.239841D-01  0.582015D+01
      3  -0.132967D+01 -0.549527D+01  0.239841D-01  0.108711D+01  0.237398D+00
                41            42            43            44            45 
      1   0.582015D+01  0.237398D+00 -0.747651D+01  0.256351D+00  0.360358D+01
      2   0.315639D+01  0.807056D+00  0.256351D+00  0.624663D+00 -0.267059D+01
      3   0.807056D+00 -0.303897D+01  0.360358D+01 -0.267059D+01  0.130383D+01
                46            47            48            49            50 
      1  -0.432001D+02 -0.888279D+01  0.512567D+01 -0.113640D+02 -0.304768D+01
      2  -0.888279D+01 -0.182488D+01  0.162057D+01 -0.304768D+01 -0.115786D+01
      3   0.512567D+01  0.162057D+01 -0.882501D+00  0.224902D+01 -0.630556D-01
                51            52            53            54            55 
      1   0.224902D+01  0.419582D+01  0.209864D+01 -0.180680D+01  0.353822D+02
      2  -0.630556D-01  0.209864D+01  0.249978D+00  0.998412D+00  0.703476D+01
      3   0.101952D+01 -0.180680D+01  0.998412D+00 -0.120663D+01 -0.498370D+01
                56            57            58            59            60 
      1   0.703476D+01 -0.498370D+01  0.167949D+02  0.736882D+01 -0.153864D+01
      2   0.292733D+01 -0.130780D+01  0.736882D+01  0.503453D+01 -0.198856D+01
      3  -0.130780D+01  0.262867D+01 -0.153864D+01 -0.198856D+01  0.996223D+00
                61            62            63            64            65 
      1  -0.180303D+02 -0.326668D+01  0.553721D+01  0.648297D+01 -0.452259D+01
      2  -0.326668D+01 -0.156240D+01  0.178749D+01 -0.452259D+01 -0.197414D+01
      3   0.553721D+01  0.178749D+01 -0.409867D+01 -0.304724D+01  0.446038D+00
                66            67            68            69            70 
      1  -0.304724D+01 -0.414570D+01 -0.180081D+01  0.661911D+00 -0.582174D+01
      2   0.446038D+00 -0.180081D+01  0.850639D+00 -0.217128D+01  0.834519D+00
      3   0.201726D+01  0.661911D+00 -0.217128D+01 -0.102202D+01  0.275344D+01
                71            72            73            74            75 
      1   0.834519D+00  0.275344D+01  0.355827D+00  0.928799D+00 -0.425624D+00
      2  -0.226513D+01 -0.201996D+01  0.928799D+00 -0.282241D+01 -0.293617D+01
      3  -0.201996D+01  0.560092D+01 -0.425624D+00 -0.293617D+01  0.219455D+01
                76            77            78            79            80 
      1   0.163031D+01 -0.312289D+01 -0.419921D+01 -0.101441D+01 -0.404760D+01
      2  -0.312289D+01 -0.229415D+01 -0.129045D+01 -0.404760D+01 -0.164596D+01
      3  -0.419921D+01 -0.129045D+01 -0.108317D+01  0.322316D+01 -0.778983D+00
                81            82            83            84            85 
      1   0.322316D+01 -0.778088D+01 -0.651616D+01 -0.197644D+01 -0.854190D+01
      2  -0.778983D+00 -0.651616D+01 -0.254150D+01  0.102097D+01 -0.451990D+01
      3   0.134830D+01 -0.197644D+01  0.102097D+01 -0.373805D-01  0.356691D+00
                86            87            88            89            90 
      1  -0.451990D+01  0.356691D+00  0.374244D+01  0.194992D+01 -0.110008D+00
      2   0.465508D+00 -0.649559D-01  0.194992D+01  0.703332D+00  0.457645D+01
      3  -0.649559D-01  0.349008D+01 -0.110008D+00  0.457645D+01  0.185610D+01
                91            92            93            94            95 
      1  -0.878583D+01 -0.705280D+00 -0.270822D+01 -0.223982D+01  0.143786D+01
      2  -0.705280D+00  0.215365D+01 -0.208451D+00  0.143786D+01  0.429118D+01
      3  -0.270822D+01 -0.208451D+00  0.279755D+01 -0.724332D+00 -0.120899D+00
                96            97            98            99           100 
      1  -0.724332D+00 -0.665909D+00 -0.604089D+00  0.291002D+01 -0.499144D+01
      2  -0.120899D+00 -0.604089D+00  0.566006D+00 -0.200239D+01  0.224594D+00
      3  -0.233623D+01  0.291002D+01 -0.200239D+01 -0.476755D+00 -0.253093D+01
               101           102           103           104           105 
      1   0.224594D+00 -0.253093D+01  0.152910D+01 -0.765886D+00  0.126303D+01
      2  -0.650301D+00  0.425151D+00 -0.765886D+00  0.960807D+00 -0.629784D+00
      3   0.425151D+00 -0.229733D+01  0.126303D+01 -0.629784D+00  0.119476D+01
               106           107           108           109           110 
      1  -0.416482D+01  0.790376D+00 -0.358608D+01 -0.680046D+01 -0.228513D+01
      2   0.790376D+00 -0.124643D+01  0.303422D+00 -0.228513D+01 -0.138332D+01
      3  -0.358608D+01  0.303422D+00 -0.438980D+01  0.208089D+01  0.961777D+00
               111           112           113           114           115 
      1   0.208089D+01 -0.251804D+01 -0.187952D+01  0.123352D+01  0.464988D+01
      2   0.961777D+00 -0.187952D+01 -0.183913D+01  0.959744D+00  0.191936D+01
      3  -0.181806D+01  0.123352D+01  0.959744D+00 -0.799415D+00 -0.298379D+01
               116           117           118           119           120 
      1   0.191936D+01 -0.298379D+01  0.313735D+00  0.593041D+00 -0.697815D+00
      2   0.175416D+01 -0.953344D+00  0.593041D+00 -0.253750D+00 -0.260629D+00
      3  -0.953344D+00  0.245600D+01 -0.697815D+00 -0.260629D+00 -0.949399D-03
               121           122           123           124           125 
      1   0.191786D+01 -0.619136D+00 -0.861057D-01 -0.933757D+00  0.215266D-01
      2  -0.619136D+00  0.132606D+01 -0.133194D+01  0.215266D-01 -0.174039D+01
      3  -0.861057D-01 -0.133194D+01  0.219472D+01 -0.560813D+00  0.154873D+01
               126           127           128           129           130 
      1  -0.560813D+00  0.100905D+01 -0.308389D+00  0.693624D+00 -0.189090D+00
      2   0.154873D+01 -0.308389D+00  0.164564D+01 -0.502524D+00  0.703862D+00
      3  -0.583497D+01  0.693624D+00 -0.502524D+00  0.546298D+00 -0.315647D+00
               131           132           133           134           135 
      1   0.703862D+00 -0.315647D+00  0.135849D+01 -0.337945D+00  0.180307D+00
      2  -0.526952D+01  0.160982D+01 -0.337945D+00  0.337002D+01 -0.216521D+01
      3   0.160982D+01 -0.171432D+01  0.180307D+00 -0.216521D+01  0.211333D+01
               136           137           138           139           140 
      1   0.100231D+01 -0.251716D+00 -0.743096D+00  0.125325D+01 -0.346335D+00
      2  -0.251716D+00  0.219273D+00 -0.133937D+00 -0.346335D+00 -0.431041D+01
      3  -0.743096D+00 -0.133937D+00 -0.443877D-01 -0.567555D+00 -0.280380D+01
               141           142           143           144           145 
      1  -0.567555D+00 -0.210031D+01 -0.123218D+01 -0.959576D+00  0.550908D+00
      2  -0.280380D+01 -0.123218D+01 -0.451418D+01 -0.455292D+01 -0.591346D+00
      3  -0.278759D+01 -0.959576D+00 -0.455292D+01 -0.596301D+01  0.849423D+00
               146           147           148           149           150 
      1  -0.591346D+00  0.849423D+00 -0.900580D+00  0.869382D+00 -0.152899D+00
      2   0.882614D+00 -0.314379D+00  0.869382D+00 -0.531472D+01  0.229494D+01
      3  -0.314379D+00  0.367993D+00 -0.152899D+00  0.229494D+01 -0.296039D+01
               151           152           153           154           155 
      1   0.631114D+00 -0.218215D+00  0.926329D-01 -0.611853D+01  0.152350D+01
      2  -0.218215D+00  0.163621D+01 -0.147010D+01  0.152350D+01 -0.116803D+01
      3   0.926329D-01 -0.147010D+01  0.137506D+01  0.403201D+01 -0.910278D+00
               156           157           158           159           160 
      1   0.403201D+01  0.148672D+01 -0.971291D+00 -0.942004D+00  0.232577D+01
      2  -0.910278D+00 -0.971291D+00  0.726383D+00  0.132619D+01 -0.700539D+00
      3  -0.423107D+01 -0.942004D+00  0.132619D+01  0.148444D+01 -0.282299D+01
               161           162           163           164           165 
      1  -0.700539D+00 -0.282299D+01  0.376541D+01  0.164611D+01  0.156268D+01
      2   0.873163D+00  0.957785D+00  0.164611D+01  0.196260D+01  0.108768D+01
      3   0.957785D+00  0.356672D+01  0.156268D+01  0.108768D+01  0.239357D+01
               166           167           168           169           170 
      1   0.171939D+01  0.141442D+01  0.807191D+00  0.674384D+00  0.526322D+00
      2   0.141442D+01  0.212909D+01  0.166040D+01  0.526322D+00  0.958954D+00
      3   0.807191D+00  0.166040D+01  0.213336D+01  0.106029D+01  0.106061D+01
               171           172           173           174           175 
      1   0.106029D+01 -0.140092D+01  0.914956D+00 -0.861028D+00  0.466097D+00
      2   0.106061D+01  0.914956D+00 -0.202180D+00  0.283878D+00 -0.881980D-01
      3   0.167244D+01 -0.861028D+00  0.283878D+00 -0.118434D+01  0.219671D+00
               176           177           178           179           180 
      1  -0.881980D-01  0.219671D+00 -0.149609D+01  0.864644D+00 -0.202445D+01
      2   0.463679D+00 -0.921262D+00  0.864644D+00 -0.226030D+01  0.205359D+01
      3  -0.921262D+00  0.669496D+00 -0.202445D+01  0.205359D+01 -0.712738D+01
               181           182           183           184           185 
      1   0.238090D+01  0.195103D+01  0.748725D+00  0.156290D+01  0.164329D+01
      2   0.195103D+01  0.418359D+01  0.415956D+00  0.164329D+01  0.486931D+01
      3   0.748725D+00  0.415956D+00  0.881880D+00  0.247765D+00  0.788646D+00
               186           187           188           189           190 
      1   0.247765D+00  0.991022D+00  0.149114D+00  0.233244D+00 -0.720849D+01
      2   0.788646D+00  0.149114D+00  0.154571D+01  0.110266D+01  0.387949D+01
      3   0.881790D+00  0.233244D+00  0.110266D+01  0.212485D+00  0.210029D+01
               191           192           193           194           195 
      1   0.387949D+01  0.210029D+01  0.126949D+01 -0.199665D+01 -0.748633D+00
      2  -0.283890D+01 -0.906634D+00 -0.199665D+01  0.216357D+01  0.980502D+00
      3  -0.906634D+00 -0.181334D+01 -0.748633D+00  0.980502D+00  0.655651D+00
               196           197           198           199           200 
      1   0.360455D+01 -0.178562D+01 -0.205058D+01 -0.129628D+01 -0.933656D+00
      2  -0.178562D+01  0.218317D+01  0.127500D+01 -0.933656D+00 -0.150013D-01
      3  -0.205058D+01  0.127500D+01  0.133622D+01  0.128675D+01 -0.199466D+00
               201           202           203           204           205 
      1   0.128675D+01 -0.163943D+01  0.867283D+00  0.340502D+00  0.170841D+01
      2  -0.199466D+00  0.867283D+00 -0.125997D+01  0.143322D+01  0.384961D+00
      3   0.320470D+00  0.340502D+00  0.143322D+01 -0.187833D+01  0.484779D+00
               206           207           208           209           210 
      1   0.384961D+00  0.484779D+00  0.823149D+00  0.676182D+00 -0.839572D+00
      2   0.175044D+01 -0.176508D+01  0.676182D+00  0.554873D-01  0.398292D-01
      3  -0.176508D+01  0.379823D+01 -0.839572D+00  0.398292D-01 -0.166351D+00
               211           212           213           214           215 
      1   0.117827D+01 -0.571713D-01 -0.450341D+00 -0.150512D+01 -0.318123D+00
      2  -0.571713D-01  0.185321D+01 -0.187099D+01 -0.318123D+00 -0.213836D+01
      3  -0.450341D+00 -0.187099D+01  0.283353D+01  0.102323D+00  0.249076D+01
               216           217           218           219           220 
      1   0.102323D+00  0.913426D+00 -0.618621D+00  0.914832D-01 -0.221278D+01
      2   0.249076D+01 -0.618621D+00 -0.116548D+01  0.271389D+00  0.349423D+00
      3  -0.566701D+01  0.914832D-01  0.271389D+00 -0.899548D+00 -0.651913D+00
               221           222           223           224           225 
      1   0.349423D+00 -0.651913D+00  0.634830D+00  0.179777D+00 -0.193436D+00
      2  -0.744225D+01  0.935207D+00  0.179777D+00 -0.372249D+00 -0.610964D+00
      3   0.935207D+00 -0.152249D+01 -0.193436D+00 -0.610964D+00  0.303265D+00
               226           227           228           229           230 
      1  -0.519232D+00  0.745769D+00  0.101006D+01  0.802279D+00 -0.475473D+00
      2   0.745769D+00 -0.101082D+01 -0.128742D+00 -0.475473D+00  0.434293D+00
      3   0.101006D+01 -0.128742D+00 -0.279948D+01 -0.102515D+00  0.113678D+01
               231           232           233           234           235 
      1  -0.102515D+00  0.269981D+01 -0.365025D+00 -0.682748D+00  0.982566D+01
      2   0.113678D+01 -0.365025D+00  0.116408D+01  0.957534D+00 -0.563679D+00
      3   0.207413D+01 -0.682748D+00  0.957534D+00  0.564314D+01  0.304866D+01
               236           237           238           239           240 
      1  -0.563679D+00  0.304866D+01  0.432990D+00  0.890358D+00  0.228381D+00
      2   0.117874D+01 -0.172993D+00  0.890358D+00 -0.335304D+00  0.340750D+00
      3  -0.172993D+00  0.205010D+01  0.228381D+00  0.340750D+00  0.464132D+00
               241           242           243 
      1   0.196411D+01 -0.179055D-01  0.136781D+01
      2  -0.179055D-01  0.174984D+00  0.162985D+00
      3   0.136781D+01  0.162985D+00  0.119267D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.556417D+01 -0.531429D+01  0.909681D-01 -0.491779D+01  0.955424D+01
      2   0.780801D+01  0.699047D+01  0.953533D+01  0.640221D+01  0.115677D+02
      3  -0.655172D+01 -0.756799D+01 -0.123442D+01 -0.371411D+01  0.511439D+01
                 6             7             8             9            10 
      1  -0.104296D+02 -0.678300D+00 -0.381181D+01 -0.233670D+01  0.689739D+00
      2   0.840795D+00  0.223603D+01  0.210098D+01 -0.852235D+01 -0.200125D+02
      3  -0.520109D+01 -0.507252D+00 -0.462733D+01 -0.173712D+01  0.132517D+02
                11            12            13            14            15 
      1   0.219710D+01  0.148025D+01  0.254734D+01 -0.441909D+01 -0.475770D+01
      2  -0.130935D+01  0.853588D+01 -0.124381D+01 -0.876317D+01 -0.486122D+01
      3   0.359527D+01  0.382501D+01  0.140078D+02  0.304187D+01  0.612891D+01
                16            17            18            19            20 
      1   0.457333D+00  0.554642D+01  0.350209D+01 -0.224906D+01 -0.794398D+00
      2   0.841255D+01 -0.518767D+01  0.715647D+01  0.257404D+02  0.239425D+01
      3  -0.100809D+01  0.603855D+01  0.389587D+01 -0.172512D+02 -0.590375D+01
                21            22            23            24            25 
      1  -0.873925D+00 -0.528520D+00 -0.133517D+01 -0.426703D+01 -0.635563D+00
      2   0.798190D+00  0.124196D+01  0.570368D+01  0.604143D+01 -0.152639D+02
      3   0.248005D-01  0.474067D+01 -0.435918D+01 -0.994027D+00 -0.918112D+00
                26            27            28            29            30 
      1   0.392664D+00  0.403637D+01  0.684639D+01 -0.696436D+00 -0.745743D+00
      2   0.445082D+01  0.914199D-01 -0.297213D+02 -0.503523D+01 -0.157027D+01
      3  -0.236758D+01 -0.293125D+01  0.153400D+02  0.572615D+01  0.240618D+00
                31            32            33            34            35 
      1  -0.402063D+01  0.131258D+01 -0.207359D+01 -0.255822D+01  0.270811D+01
      2  -0.148817D+02 -0.432206D+01 -0.222143D+00 -0.220271D+02 -0.321836D+01
      3   0.335142D+02  0.869298D+01 -0.157845D+01  0.328287D+01  0.143965D+01
                36            37            38            39            40 
      1  -0.385753D+01 -0.710128D+01  0.141516D+01  0.133680D+01  0.476260D+01
      2   0.407339D-01  0.228101D+02  0.539176D+01  0.435217D+01  0.140920D+02
      3   0.782588D+00 -0.222789D+02 -0.106874D+02  0.243548D+00 -0.117717D+01
                41            42            43            44            45 
      1  -0.654121D-02 -0.102271D+01  0.832210D+01  0.174141D+01  0.255377D+00
      2   0.594997D+01 -0.543516D+01 -0.108820D+02 -0.629236D+01  0.913523D+01
      3  -0.230556D+01 -0.345082D+01 -0.275641D+01 -0.525494D+01  0.386723D+01
                46            47            48            49            50 
      1   0.572303D+01 -0.748371D+01 -0.129001D+01 -0.393412D+01  0.837469D+01
      2  -0.725047D+01 -0.578989D+01 -0.863501D+01 -0.506355D+01  0.143336D+00
      3   0.151367D+02  0.157079D+02  0.248305D+00  0.239281D+02  0.659499D+01
                51            52            53            54            55 
      1  -0.103866D+02 -0.340731D+00 -0.256609D+00 -0.111866D+02 -0.334228D+01
      2  -0.272995D+01 -0.177847D+02  0.200596D+00 -0.472221D+01  0.653187D+01
      3   0.209772D+01  0.107222D+01 -0.662499D+00 -0.592969D+00 -0.117533D+02
                56            57            58            59            60 
      1   0.143069D+01 -0.976334D+00 -0.245308D+01 -0.339201D+01 -0.906494D+00
      2   0.850019D+00  0.171401D+02  0.603842D+01 -0.246177D+01  0.816155D+01
      3  -0.191410D+02  0.245836D+01 -0.145958D+02 -0.169987D+02  0.438133D+01
                61            62            63            64            65 
      1   0.566324D+00  0.315873D+01  0.362607D+01  0.684906D+01 -0.105115D+01
      2   0.292154D+01  0.331726D+01 -0.127100D+02  0.954029D+01 -0.202215D+01
      3   0.465906D+01  0.872798D+01 -0.468801D+01 -0.785307D+01 -0.193087D+02
                66            67            68            69            70 
      1  -0.509781D+01 -0.657944D+00  0.547120D+01  0.187066D+01 -0.778036D+01
      2  -0.358147D+01 -0.207383D+01  0.520881D+01  0.298588D+01 -0.107264D+02
      3  -0.530523D+01 -0.100239D+02 -0.397304D+01 -0.498417D+01 -0.285380D+01
                71            72            73            74            75 
      1   0.818326D+01 -0.127035D+02 -0.246153D+00 -0.255950D+01  0.305092D+01
      2   0.547309D+01 -0.136786D+02  0.180982D+01  0.126726D+02 -0.574192D+01
      3  -0.434348D+01  0.699559D-02  0.581390D+01 -0.161597D+02 -0.128425D+02
                76            77            78            79            80 
      1  -0.289146D+01 -0.419900D+00 -0.271656D+01  0.492761D+01  0.166699D+01
      2   0.162470D+02  0.380274D+01  0.159512D+01 -0.169501D+02 -0.816535D+00
      3  -0.890772D+01 -0.419950D+01 -0.169072D+01 -0.152358D+02 -0.795130D+00
                81            82            83            84            85 
      1   0.147827D+01 -0.125429D-01  0.495957D+01 -0.134758D+01  0.495047D+01
      2  -0.318850D+01 -0.206162D+01 -0.805784D+01  0.253305D+00 -0.114281D+02
      3  -0.525750D+01 -0.802205D+01  0.481608D+01  0.507831D+01  0.142681D+02
                86            87            88            89            90 
      1  -0.422800D+00  0.652985D+01 -0.935911D+00  0.149736D+02  0.991895D+00
      2  -0.406886D+01 -0.492688D+01 -0.290873D+01 -0.562813D+01 -0.260013D+01
      3   0.753007D+01 -0.270962D+01  0.703905D+01 -0.287339D+01  0.816599D+01
                91            92            93            94            95 
      1  -0.205310D+01  0.512860D+01  0.378574D+01 -0.230168D+01  0.729548D+01
      2  -0.255272D+01 -0.448535D-01  0.176536D+02 -0.976836D+00 -0.413630D+01
      3   0.649353D+01 -0.993506D+01  0.288142D+01 -0.658295D+00 -0.164926D+02
                96            97            98            99           100 
      1  -0.708786D+01 -0.102503D+01  0.421794D+01 -0.405426D+01 -0.208030D+01
      2  -0.993166D+01  0.826557D+01 -0.694446D+01 -0.570182D+01  0.509541D+01
      3   0.910950D+00  0.221658D+01 -0.361166D+01  0.460740D+01  0.475481D+01
               101           102           103           104           105 
      1   0.152757D+01 -0.189172D+01  0.111580D+01 -0.167266D+01  0.368602D+00
      2  -0.177198D+01  0.822459D+01 -0.348842D+01  0.169957D+01 -0.374794D+01
      3  -0.372434D+01  0.382425D+01 -0.186729D+01  0.481065D+01 -0.296325D+01
               106           107           108           109           110 
      1  -0.320681D+01  0.309465D+01 -0.342086D+01  0.261886D+01  0.394964D+00
      2   0.766057D+01 -0.918757D+00  0.137268D+02 -0.867713D+01 -0.396147D+01
      3   0.626745D+01 -0.603786D+01  0.410717D+01 -0.495734D+00 -0.490278D+01
               111           112           113           114           115 
      1  -0.265319D+01  0.187029D+01  0.834452D+00 -0.215114D+01 -0.291213D+01
      2   0.914844D+01 -0.521696D+01 -0.389917D+01  0.390516D+01  0.952934D+01
      3   0.124893D+01 -0.163924D+01 -0.490251D+01  0.201105D+01  0.222993D+01
               116           117           118           119           120 
      1   0.389986D+00  0.329061D+01 -0.597438D+00  0.922186D-01  0.113278D+00
      2   0.338777D+01 -0.108742D+02  0.240246D+01  0.576404D+00  0.597097D+00
      3   0.567711D+01 -0.327237D+00  0.874525D+00 -0.932206D+00  0.313157D+00
               121           122           123           124           125 
      1  -0.134737D+01 -0.266184D+01  0.668071D+00 -0.893328D+00  0.429149D+01
      2   0.181579D+01  0.609155D+00 -0.257051D+01 -0.370674D+01 -0.156731D+01
      3   0.156902D+01  0.958741D+00 -0.115779D+01  0.204740D-01 -0.159385D+01
               126           127           128           129           130 
      1  -0.252892D+01  0.230396D+01 -0.204207D+01  0.234741D+01 -0.158285D+01
      2   0.527268D+01 -0.734621D+00  0.822775D+00  0.534756D+00  0.110328D+01
      3   0.196316D+01 -0.334806D+01  0.227859D+01 -0.274739D+01  0.403697D+01
               131           132           133           134           135 
      1   0.699136D+01 -0.703054D+01  0.930114D+00 -0.583288D+01  0.843957D+01
      2  -0.195646D+01  0.227678D+01 -0.717470D+00  0.317597D+01 -0.299479D+01
      3  -0.106976D+02  0.380159D+01 -0.485621D+01  0.668822D+01 -0.489712D+01
               136           137           138           139           140 
      1  -0.106023D+01 -0.626328D+00  0.104156D+00 -0.567933D+00 -0.611260D+00
      2   0.170386D+01  0.628103D-01  0.258716D+00  0.157330D+00  0.455803D+01
      3  -0.806165D+00 -0.121995D+00  0.960937D+00  0.144083D+01 -0.749259D+01
               141           142           143           144           145 
      1  -0.504991D+01 -0.149686D+00 -0.279882D+01 -0.931974D+01 -0.151112D+01
      2   0.461664D+01 -0.267289D+01  0.685033D+01  0.965128D+01 -0.407922D+01
      3  -0.420552D+01  0.239317D+01 -0.650725D+01 -0.723550D+01 -0.152191D+01
               146           147           148           149           150 
      1   0.279412D+01 -0.261075D+00  0.256733D+01 -0.142054D+02  0.196199D+01
      2   0.218285D+01 -0.137143D+01  0.411908D+01 -0.702531D+01  0.576668D+01
      3   0.975040D+00 -0.365855D+00  0.392276D+01 -0.862550D+01  0.371268D+01
               151           152           153           154           155 
      1  -0.403139D+00  0.451319D+01 -0.302662D+01  0.189178D+01 -0.335371D+01
      2  -0.261489D+01  0.339346D+01 -0.260903D+01  0.471898D+01 -0.128351D+01
      3  -0.694913D+00  0.252302D+01 -0.248228D+01  0.123101D+01 -0.385389D+01
               156           157           158           159           160 
      1   0.155076D+00 -0.144871D+01  0.116470D+01  0.837619D+00 -0.878225D+00
      2   0.349383D+01 -0.204552D+01 -0.117090D+01 -0.176719D+01 -0.300755D+01
      3  -0.686155D+00 -0.611432D+00  0.158766D+01  0.231917D+01 -0.832304D-01
               161           162           163           164           165 
      1   0.318322D+01  0.364895D+00  0.280932D+01  0.480705D+01  0.252984D+00
      2  -0.327259D+00 -0.190662D+01 -0.144521D+02 -0.624406D+01 -0.637338D+01
      3   0.236239D+01  0.100146D+01  0.644819D+01  0.274998D+01  0.274985D+01
               166           167           168           169           170 
      1   0.284542D+01  0.397758D+01  0.485370D+00  0.803289D+00  0.291887D+01
      2  -0.692871D+01 -0.683343D+01 -0.498392D+01 -0.570337D+01 -0.345731D+01
      3   0.531291D+01  0.358326D+01  0.344524D+01  0.155263D+01  0.131724D+01
               171           172           173           174           175 
      1   0.130307D+01  0.155176D+01 -0.237309D+00  0.277098D+01 -0.768134D+00
      2  -0.522857D+01  0.149690D+01 -0.583298D+00  0.342180D+01 -0.348430D+00
      3   0.268705D+01  0.497118D+00  0.165365D+00 -0.842257D+00  0.130727D+01
               176           177           178           179           180 
      1   0.186258D+01 -0.237637D+01  0.384730D+01 -0.192479D+00  0.161508D+02
      2   0.218162D+01 -0.160329D+01  0.166140D+01 -0.446818D+01  0.174367D+02
      3   0.896378D+00 -0.176915D+01 -0.161688D+01 -0.498132D+01  0.216663D+01
               181           182           183           184           185 
      1  -0.192982D+01 -0.826123D+00 -0.336820D+01 -0.987917D+00 -0.218396D+01
      2  -0.146572D+01 -0.657271D+00 -0.369522D+00 -0.239442D+00 -0.145585D+01
      3   0.142972D+02  0.138517D+02  0.304094D+01  0.103752D+02  0.164986D+02
               186           187           188           189           190 
      1  -0.396001D+01 -0.816108D+00 -0.107621D+01 -0.701744D+00 -0.485236D+01
      2  -0.115653D+01 -0.135030D+01 -0.227335D+01 -0.264878D+00 -0.563636D+01
      3   0.286145D+01  0.289780D+01  0.420877D+01  0.347401D+01 -0.405237D+01
               191           192           193           194           195 
      1   0.163360D+01  0.529331D+01  0.240565D+01 -0.227356D+01 -0.284819D+01
      2   0.270792D+01  0.739392D+01  0.173526D+01 -0.289645D+01 -0.262944D+01
      3  -0.276225D+01  0.204509D+01  0.215504D+01  0.246904D+01  0.886458D+00
               196           197           198           199           200 
      1   0.404124D+01 -0.113840D+01 -0.327890D+01  0.303603D+00  0.340610D+00
      2   0.461296D+01 -0.314688D+01 -0.446622D+01 -0.491831D+00 -0.504319D+00
      3   0.174407D+01  0.373091D+01 -0.429807D+00  0.680018D+00  0.461691D+00
               201           202           203           204           205 
      1   0.232307D+00  0.434242D+01  0.691176D+00 -0.286630D+01  0.233140D+01
      2  -0.259378D+00  0.141855D+01  0.132216D+01 -0.814574D+00 -0.262700D+01
      3  -0.871697D+00  0.280711D+01  0.151984D+00 -0.313426D+00 -0.232586D+01
               206           207           208           209           210 
      1   0.133795D+01  0.348055D+01 -0.990998D+00  0.458373D+00  0.771218D-01
      2   0.110590D+00  0.260624D+01 -0.992649D+00  0.302842D+00  0.157146D+00
      3  -0.941850D+00  0.532936D+00 -0.178570D+01 -0.502316D+00  0.207130D+00
               211           212           213           214           215 
      1   0.199991D+01 -0.184746D+01 -0.406061D+00  0.100478D+01  0.377527D+01
      2   0.491869D+00 -0.383158D+01  0.508351D+01 -0.358609D+01  0.440693D+01
      3   0.321115D+01 -0.345919D+01  0.383743D+01  0.420667D+00  0.436144D+01
               216           217           218           219           220 
      1   0.626906D+00  0.112244D-01 -0.221831D+01 -0.109251D-01  0.357639D+00
      2  -0.100641D+02  0.870649D+00  0.219486D+01 -0.246026D+01  0.367254D+00
      3  -0.504517D+01  0.240223D+01  0.444336D+01 -0.106964D+01  0.188358D+01
               221           222           223           224           225 
      1  -0.115844D+02 -0.627660D+00  0.157144D+01 -0.759749D+00 -0.485589D+00
      2   0.421590D+01 -0.401756D+01 -0.480084D+00 -0.202696D+01  0.201083D+01
      3   0.261464D+02 -0.289838D+01 -0.143890D+01  0.159154D+01  0.223890D+01
               226           227           228           229           230 
      1   0.615279D+00 -0.185966D+01 -0.365665D+01  0.306900D+00  0.187939D+01
      2   0.671037D+01 -0.179520D+01 -0.120101D+02 -0.176358D+01  0.542080D+01
      3  -0.143972D+01  0.196236D+01 -0.338681D-01  0.119411D+01 -0.856288D+00
               231           232           233           234           235 
      1   0.326513D+01 -0.195991D+01  0.347173D+01  0.629494D+01  0.137686D+01
      2   0.838822D+01 -0.719995D+01  0.416701D+01  0.220973D+02 -0.138287D+01
      3  -0.396502D+01  0.136160D+00 -0.312722D+01 -0.244087D+01 -0.436529D+01
               236           237           238           239           240 
      1   0.188336D+01  0.108186D+01  0.608325D+00 -0.182395D+00 -0.276941D+00
      2  -0.280180D+00  0.612779D+01  0.468866D+00  0.437865D+00  0.173623D+01
      3  -0.607663D+01 -0.119951D+01 -0.195840D+01  0.590018D+00 -0.785372D+00
               241           242           243 
      1   0.674777D+00  0.114795D+01  0.867441D+00
      2   0.387701D+00  0.934006D+00  0.257914D+01
      3  -0.163666D+01 -0.941451D+00 -0.143256D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.337538D+01  0.127164D+02  0.169950D+02  0.115335D+02  0.143238D+02
      2   0.769641D+01 -0.939646D+01 -0.163052D+02 -0.926050D+01  0.119655D+01
      3  -0.110718D+02 -0.331992D+01 -0.689791D+00 -0.227297D+01 -0.155204D+02
      4   0.130077D+02  0.345790D+01 -0.676533D+01  0.527431D+01 -0.148230D+02
      5   0.247384D+02 -0.124411D+02 -0.250166D+02 -0.136956D+02  0.397476D+01
      6  -0.141160D+02 -0.813493D+01  0.239436D+01 -0.714886D+01  0.105724D+02
                 6             7             8             9            10 
      1  -0.111046D+00  0.129717D+02 -0.105144D+00 -0.164053D+02 -0.204942D+02
      2   0.329669D+01 -0.122657D+02  0.200064D+01 -0.235073D+01  0.173583D+02
      3  -0.318564D+01 -0.705929D+00 -0.189549D+01  0.187560D+02  0.313589D+01
      4   0.953050D+01 -0.708117D+01  0.812647D+01  0.649197D+01 -0.345364D+02
      5   0.446984D+01 -0.233268D+02  0.571118D+01 -0.257616D+01 -0.115570D+02
      6  -0.119537D+02  0.311820D+01 -0.102492D+02 -0.106739D+01  0.932501D+01
                11            12            13            14            15 
      1  -0.183696D+02 -0.773149D+01 -0.234114D+02 -0.223096D+02 -0.958797D+01
      2   0.134979D+02  0.513345D+01  0.167408D+02  0.201753D+01  0.572269D+01
      3   0.487165D+01  0.259804D+01  0.667063D+01  0.202921D+02  0.386528D+01
      4  -0.346714D+01  0.297718D+01 -0.554349D+01  0.265463D+01 -0.129391D+02
      5   0.147351D+00  0.115668D+02  0.166537D+01 -0.874222D+01 -0.545862D+01
      6  -0.200963D+01 -0.225355D+01  0.727489D+00  0.708150D+01  0.500123D+01
                16            17            18            19            20 
      1  -0.661263D-01 -0.880503D+01  0.986569D+01  0.626164D+02  0.105254D+02
      2  -0.513378D+01  0.811148D+01  0.143303D+01 -0.524978D+02 -0.105653D+02
      3   0.519991D+01  0.693548D+00 -0.112987D+02 -0.101187D+02  0.398662D-01
      4   0.797167D+01 -0.157141D+02 -0.119928D+02  0.181328D+02 -0.120643D+02
      5   0.116196D+02 -0.865844D+01  0.143971D+02 -0.191880D+02 -0.715221D+01
      6  -0.632197D+01  0.489246D+01 -0.571275D+01 -0.227805D+02 -0.563636D+01
                21            22            23            24            25 
      1   0.119235D+01  0.103145D+02  0.101087D+02 -0.134807D+01  0.248664D+01
      2  -0.174867D+01 -0.126320D+02 -0.725210D+01 -0.674802D+01  0.142142D+01
      3   0.556321D+00  0.231747D+01 -0.285661D+01  0.809609D+01 -0.390806D+01
      4  -0.678198D+01 -0.257260D+02 -0.664536D+01  0.233983D+01 -0.128433D+02
      5  -0.104654D+01 -0.118588D+02 -0.493024D+01  0.609037D+01 -0.678629D+01
      6  -0.125845D+01 -0.100224D+02 -0.611753D+01 -0.214744D+01 -0.100168D+01
                26            27            28            29            30 
      1  -0.124353D+01  0.617182D+01 -0.133772D+03 -0.135580D+02  0.537305D+01
      2  -0.756502D+01  0.662826D+01  0.855540D+02  0.775123D+01 -0.466205D+01
      3   0.880855D+01 -0.128001D+02  0.482176D+02  0.580673D+01 -0.710998D+00
      4   0.406648D+01  0.840759D+01 -0.217445D+02 -0.909032D+01  0.916544D+00
      5   0.453381D+01 -0.418052D+01  0.353447D+02  0.308146D+01 -0.112819D+02
      6  -0.980902D+00  0.702123D+01  0.259561D+02  0.539997D+01 -0.298059D+00
                31            32            33            34            35 
      1  -0.417595D+02 -0.279305D+02 -0.591324D+01  0.278249D+02 -0.337832D+01
      2   0.290125D+02  0.216857D+02  0.352009D+01 -0.145440D+02  0.579176D+01
      3   0.127471D+02  0.624480D+01  0.239315D+01 -0.132809D+02 -0.241344D+01
      4  -0.166307D+02 -0.122767D+02 -0.337751D+01  0.389344D+01 -0.377640D+01
      5   0.775288D+01  0.247248D+01 -0.400907D-01 -0.102410D+02  0.167221D+01
      6   0.770062D+01  0.106351D+02  0.404029D+01 -0.114952D+00  0.212639D+01
                36            37            38            39            40 
      1  -0.135923D+02  0.187727D+03  0.327456D+02 -0.163018D+02  0.373639D+02
      2   0.278547D+01 -0.108647D+03 -0.189479D+02  0.106757D+02 -0.176499D+02
      3   0.108068D+02 -0.790804D+02 -0.137978D+02  0.562611D+01 -0.197140D+02
      4   0.626109D+00  0.412215D+02  0.181244D+02 -0.177130D+00  0.320524D+02
      5   0.309167D-01 -0.513035D+02 -0.463749D+01  0.126580D+02 -0.117688D+01
      6   0.524963D+01 -0.253442D+02 -0.572265D+01  0.770502D+00 -0.107382D+02
                41            42            43            44            45 
      1   0.106378D+02 -0.952422D+01 -0.738317D+01 -0.850861D+01  0.110447D+02
      2   0.546145D+00 -0.206197D+01  0.112837D+02  0.358797D+01 -0.560647D+01
      3  -0.111840D+02  0.115862D+02 -0.390056D+01  0.492064D+01 -0.543820D+01
      4   0.758196D+01  0.786221D+00  0.929220D+01  0.671137D+01 -0.939218D+01
      5   0.109291D+01 -0.123506D+02  0.183987D+02 -0.806972D+01  0.605523D+01
      6  -0.451316D+00  0.106979D+01  0.106535D+01 -0.248228D+00  0.969367D+01
                46            47            48            49            50 
      1  -0.176187D+03 -0.365349D+02  0.301861D+02 -0.614652D+02 -0.213047D+02
      2   0.923526D+02  0.160857D+02 -0.156598D+02  0.312010D+02  0.115220D+02
      3   0.838344D+02  0.204492D+02 -0.145264D+02  0.302642D+02  0.978273D+01
      4  -0.627570D+02 -0.315701D+02  0.109276D+02 -0.194102D+02 -0.119985D+02
      5   0.630449D+02  0.149875D+02 -0.262971D+02  0.279238D+02  0.192040D+01
      6   0.214327D+02  0.315071D+01 -0.542446D+01  0.140789D+00  0.697321D+01
                51            52            53            54            55 
      1   0.115129D+02  0.371511D+02  0.121360D+02 -0.151350D+02  0.185815D+03
      2  -0.959651D+01 -0.136248D+02 -0.156377D+00  0.114089D+02 -0.948094D+02
      3  -0.191638D+01 -0.235263D+02 -0.119796D+02  0.372610D+01 -0.910052D+02
      4   0.270033D+00  0.219387D+02 -0.101333D+01  0.396088D+01  0.557959D+02
      5   0.255298D+01 -0.172920D+02  0.510211D+01 -0.893115D+01 -0.607489D+02
      6   0.101597D+01  0.423238D+01 -0.212228D+01  0.506037D+01 -0.116227D+02
                56            57            58            59            60 
      1   0.366441D+02 -0.327076D+02  0.725947D+02  0.315180D+02 -0.590166D+01
      2  -0.135912D+02  0.208754D+02 -0.310670D+02 -0.473505D+01  0.160078D+01
      3  -0.230529D+02  0.118323D+02 -0.415276D+02 -0.267829D+02  0.430088D+01
      4   0.384588D+02 -0.110817D+02  0.610514D+02  0.425718D+02 -0.157272D+02
      5  -0.132237D+02  0.375626D+02 -0.215675D+02 -0.176172D+02  0.121498D+02
      6  -0.546983D+01  0.512526D+01 -0.111476D+02 -0.866214D+01  0.903071D+01
                61            62            63            64            65 
      1  -0.814148D+02 -0.123204D+02  0.258447D+02 -0.201979D+01  0.317133D+02
      2   0.477792D+02  0.522483D+01 -0.230482D+02 -0.132283D+02 -0.261486D+02
      3   0.336356D+02  0.709561D+01 -0.279645D+01  0.152481D+02 -0.556468D+01
      4  -0.242858D+02 -0.141288D+02  0.138894D+02  0.311376D+02 -0.123295D+02
      5   0.595755D+02  0.158904D+02 -0.378026D+02  0.141995D+02 -0.505244D+01
      6   0.115486D+02  0.952488D+01 -0.584487D+01 -0.141423D+02  0.263473D+01
                66            67            68            69            70 
      1   0.163047D+02  0.275625D+02  0.706619D+01  0.867559D+00  0.149712D+02
      2  -0.663398D+01 -0.227338D+02  0.226513D+01 -0.801320D+01 -0.124612D+01
      3  -0.967071D+01 -0.482867D+01 -0.933132D+01  0.714564D+01 -0.137250D+02
      4  -0.139336D+02 -0.648824D+01 -0.146925D+02  0.103983D+02 -0.186488D+02
      5  -0.105187D+02 -0.508568D+01  0.103415D+02  0.555522D+01 -0.133064D+02
      6   0.797616D+01  0.393445D+01 -0.105594D+02 -0.434812D+01  0.117558D+02
                71            72            73            74            75 
      1  -0.139724D+01 -0.721115D+01 -0.597124D+01 -0.921161D+01 -0.267789D+01
      2  -0.986766D+01  0.609323D+01  0.403512D+01  0.364532D+01  0.775325D+01
      3   0.112649D+02  0.111792D+01  0.193612D+01  0.556629D+01 -0.507536D+01
      4   0.121965D+02  0.165420D+02 -0.863623D+01  0.568518D+01  0.163322D+02
      5   0.106406D+02 -0.284240D+02  0.586343D+01  0.166499D+02 -0.204346D+02
      6  -0.556044D+01  0.196710D+02  0.318511D+01  0.854286D+01  0.723567D+00
                76            77            78            79            80 
      1  -0.112528D+02  0.208163D+02  0.273019D+02  0.220292D+01  0.278737D+02
      2   0.569056D+01 -0.880017D+01 -0.151636D+02  0.855473D+01 -0.160674D+02
      3   0.556228D+01 -0.120161D+02 -0.121383D+02 -0.107576D+02 -0.118063D+02
      4   0.140704D+02  0.147131D+02  0.118309D+02  0.291593D+02  0.159199D+02
      5   0.273877D+02  0.816011D+01  0.596571D+01 -0.283174D+02  0.419611D+01
      6   0.813241D+01  0.172556D+01 -0.835916D+00 -0.140065D+01 -0.343763D+00
                81            82            83            84            85 
      1  -0.218754D+02 -0.361923D+02  0.313369D+01  0.950115D+01  0.382355D+01
      2   0.153672D+02  0.334968D+02  0.876811D+01 -0.814670D+01  0.894374D+01
      3   0.650812D+01  0.269550D+01 -0.119018D+02 -0.135445D+01 -0.127673D+02
      4   0.402486D+00  0.170048D+02  0.167207D+02  0.104038D+01  0.219584D+02
      5  -0.108597D+02  0.122344D+02  0.324854D+01  0.247459D+01  0.316002D+01
      6   0.460498D+01  0.178287D+02 -0.293241D+00  0.108467D+00  0.211819D+01
                86            87            88            89            90 
      1   0.701905D+01 -0.436561D+01  0.228725D+02 -0.311249D+00  0.203673D+02
      2  -0.759464D+00  0.123229D+02 -0.190533D+02  0.111679D+02 -0.167946D+02
      3  -0.625959D+01 -0.795732D+01 -0.381919D+01 -0.108567D+02 -0.357275D+01
      4   0.368489D+01 -0.424075D+01 -0.129685D+01 -0.801614D+01 -0.131918D+02
      5   0.301543D+01 -0.110648D+02 -0.586046D+00 -0.158787D+02 -0.605506D+01
      6   0.658245D+00 -0.154338D+02 -0.531840D+01 -0.247403D+02 -0.161608D+02
                91            92            93            94            95 
      1  -0.577397D+02  0.352175D+00 -0.316552D+02 -0.996697D+01  0.215717D+02
      2   0.352984D+02 -0.584462D+01  0.771887D+01  0.304507D+01 -0.224943D+02
      3   0.224413D+02  0.549244D+01  0.239364D+02  0.692190D+01  0.922588D+00
      4   0.121254D+01  0.151893D+02 -0.324684D+00  0.109402D+02  0.246159D+02
      5  -0.287533D+02 -0.232353D+01  0.106618D+02 -0.684710D+01  0.259586D+01
      6  -0.413448D+00  0.502751D+01 -0.288130D+00  0.385420D+01  0.719312D+01
                96            97            98            99           100 
      1   0.303987D+01 -0.179367D+02  0.477685D+01  0.175455D+02  0.374345D+02
      2   0.818819D+01  0.308868D+01  0.271808D+00 -0.383857D+01 -0.242971D+02
      3  -0.112281D+02  0.148480D+02 -0.504866D+01 -0.137069D+02 -0.131373D+02
      4   0.210859D+00 -0.363450D+01  0.554461D+01 -0.137815D+02  0.188461D+01
      5  -0.132922D+02  0.138583D+02 -0.116098D+02  0.463968D+01  0.252381D+02
      6   0.227817D+01 -0.237765D+01  0.594203D+01 -0.938328D+01 -0.245129D-01
               101           102           103           104           105 
      1  -0.146558D+01  0.165828D+02 -0.107239D+02  0.310123D+01 -0.773069D+01
      2   0.166239D+01 -0.130011D+02  0.748640D+01 -0.267925D+01  0.615626D+01
      3  -0.196815D+00 -0.358167D+01  0.323748D+01 -0.421980D+00  0.157442D+01
      4   0.628830D+01 -0.175235D+01  0.731276D+01 -0.660912D+01  0.464945D+01
      5  -0.376855D+01  0.218241D+02 -0.108362D+02  0.627714D+01 -0.883958D+01
      6   0.105008D+01  0.129652D+01  0.202804D+01 -0.172764D+01  0.326050D+01
               106           107           108           109           110 
      1   0.271411D+02 -0.489148D+01  0.170637D+02  0.509388D+02  0.147197D+02
      2  -0.222753D+02  0.463341D+01 -0.203886D+02 -0.235303D+02 -0.439018D+01
      3  -0.486585D+01  0.258067D+00  0.332487D+01 -0.274086D+02 -0.103295D+02
      4  -0.203458D+01  0.756387D+01 -0.121173D+00  0.270124D+02  0.156645D+02
      5   0.331656D+02 -0.283205D+01  0.351906D+02 -0.168738D+02 -0.737229D+01
      6   0.129737D+01  0.385530D+01  0.183597D+01 -0.632636D+01 -0.324392D+01
               111           112           113           114           115 
      1  -0.136311D+02  0.167397D+02  0.673891D+01 -0.696014D+01 -0.294283D+02
      2   0.599039D+01 -0.452251D+01  0.201132D+01  0.242211D+01  0.135993D+02
      3   0.764072D+01 -0.122172D+02 -0.875023D+01  0.453803D+01  0.158289D+02
      4  -0.987112D+01  0.197300D+02  0.162840D+02 -0.899761D+01 -0.196675D+02
      5   0.160040D+02 -0.906221D+01 -0.749214D+01  0.589486D+01  0.240972D+02
      6   0.388777D+01 -0.462861D+01 -0.317217D+01  0.451189D+01  0.734536D+01
               116           117           118           119           120 
      1  -0.105829D+02  0.150765D+02  0.978874D+00 -0.721209D+00  0.188173D+01
      2   0.334056D+01 -0.100954D+02 -0.331038D+01  0.353875D+00 -0.284895D+00
      3   0.724229D+01 -0.498112D+01  0.233151D+01  0.367334D+00 -0.159684D+01
      4  -0.154356D+02  0.103085D+02 -0.172973D+01  0.261830D+01 -0.149821D+00
      5   0.751833D+01 -0.188933D+02  0.136229D+01 -0.920154D+00  0.564400D+01
      6   0.514612D+01 -0.706103D+01 -0.155477D+01  0.712187D-01  0.287758D+00
               121           122           123           124           125 
      1   0.134944D+01 -0.651180D+01  0.709072D+01  0.990693D-02  0.453757D+01
      2  -0.130522D+00  0.165866D+01  0.738349D+00 -0.734228D+00  0.256573D+01
      3  -0.121892D+01  0.485314D+01 -0.782907D+01  0.724321D+00 -0.710330D+01
      4   0.291758D+01 -0.276101D+01  0.253215D+01 -0.256777D+00  0.467776D+01
      5  -0.150697D+01  0.208259D+01 -0.434449D+01  0.539168D+01 -0.284994D+01
      6   0.406872D+00 -0.511327D+01  0.701828D+01 -0.370799D+00  0.600861D+01
               126           127           128           129           130 
      1  -0.187807D+02 -0.112181D+01  0.736971D+01 -0.327903D+01  0.557659D+01
      2  -0.990464D+01  0.289851D+01 -0.104143D+02  0.355688D+01 -0.561073D+01
      3   0.286853D+02 -0.177669D+01  0.304458D+01 -0.277857D+00  0.341447D-01
      4  -0.385702D+01 -0.209552D+01  0.112094D+01 -0.189009D+01  0.374253D+01
      5   0.103866D+02 -0.165296D+01  0.389745D+00 -0.545640D+00  0.579148D+00
      6  -0.588326D+01 -0.431783D+01  0.116088D+01 -0.237580D+01  0.413128D+00
               131           132           133           134           135 
      1  -0.223393D+02  0.616145D+01 -0.663887D+01  0.130029D+02 -0.109301D+02
      2   0.341920D+02 -0.109792D+02  0.437912D+01 -0.212632D+02  0.119994D+02
      3  -0.118526D+02  0.481778D+01  0.225975D+01  0.826036D+01 -0.106933D+01
      4   0.115319D+02 -0.319918D+01 -0.430943D+01 -0.725911D+01  0.433432D+01
      5  -0.517318D+01  0.528553D+01 -0.244500D+00  0.660425D+01 -0.604755D+01
      6  -0.631575D+01  0.953323D+01 -0.473590D+00  0.109519D+02 -0.822480D+01
               136           137           138           139           140 
      1   0.477637D+01  0.415382D+01  0.308744D+01  0.305385D+01 -0.192481D+02
      2  -0.477459D+01 -0.312598D+01 -0.108553D+01 -0.207974D+01  0.182466D+02
      3  -0.178551D-02 -0.102784D+01 -0.200191D+01 -0.974116D+00  0.100152D+01
      4   0.434345D+01  0.472358D+01  0.461363D+01  0.631581D+01  0.146230D+02
      5   0.298967D+01  0.343232D+01  0.549275D+01  0.335933D+01  0.100576D+02
      6   0.329710D+01  0.107672D+00  0.140725D+00  0.301626D+01  0.215128D+02
               141           142           143           144           145 
      1  -0.126238D+02 -0.111348D+01 -0.213472D+02 -0.264506D+02 -0.252234D+01
      2   0.798374D+01  0.135102D+01  0.123340D+02  0.560829D+01 -0.315763D+00
      3   0.464006D+01 -0.237544D+00  0.901314D+01  0.208423D+02  0.283810D+01
      4   0.993042D+01  0.949996D+01  0.154963D+02  0.146042D+02  0.104298D+01
      5   0.102571D+02  0.981803D+01  0.167207D+02  0.212895D+02 -0.173876D+01
      6   0.205567D+02  0.677840D+01  0.298268D+02  0.336691D+02 -0.186732D+01
               146           147           148           149           150 
      1   0.260451D+01 -0.523343D+01  0.379581D+01 -0.129344D+02  0.993937D+01
      2  -0.331057D+00  0.124803D+01 -0.168486D+01  0.520853D+01  0.353904D+01
      3  -0.227345D+01  0.398540D+01 -0.211095D+01  0.772587D+01 -0.134784D+02
      4  -0.930515D-01  0.720997D+00  0.423145D+00  0.178208D+02 -0.768950D+01
      5  -0.921867D+00  0.338961D+01 -0.369011D+01 -0.505894D+01  0.835584D+01
      6   0.407837D+01 -0.207038D+01  0.282178D+01 -0.216377D+02  0.128188D+02
               151           152           153           154           155 
      1  -0.281495D+01  0.636590D+01 -0.629593D+01  0.237190D+02 -0.399587D+01
      2   0.123785D+01  0.119356D+01 -0.225203D+01 -0.222042D+02  0.302915D+01
      3   0.157710D+01 -0.755946D+01  0.854796D+01 -0.151477D+01  0.966729D+00
      4   0.403712D+00 -0.477099D+01  0.449255D+01 -0.119745D+02  0.943744D+01
      5   0.399453D+01  0.317709D+01 -0.317439D+01 -0.382779D+02  0.908751D+01
      6  -0.150719D+01  0.104437D+02 -0.735103D+01  0.821283D+01 -0.653654D+01
               156           157           158           159           160 
      1  -0.781823D+01 -0.472649D+01  0.199262D+00 -0.680157D+00 -0.687508D+01
      2   0.180403D+02  0.378979D+01 -0.161431D+01 -0.345873D+01  0.140872D+02
      3  -0.102221D+02  0.936701D+00  0.141505D+01  0.413889D+01 -0.721216D+01
      4   0.731839D+01  0.838648D+01 -0.549409D+01 -0.732408D+01  0.533534D+01
      5   0.336984D+02  0.100482D+02 -0.819081D+01 -0.948137D+01  0.254401D+02
      6  -0.654239D+01 -0.549395D+01  0.435352D+01  0.817856D+01 -0.485160D+01
               161           162           163           164           165 
      1  -0.331665D+00  0.149831D+01 -0.105137D+02 -0.983102D+01 -0.142371D+02
      2  -0.212876D+01 -0.151048D+02  0.236455D+01  0.512779D+01  0.430594D+00
      3   0.246042D+01  0.136065D+02  0.814912D+01  0.470324D+01  0.138065D+02
      4  -0.473396D+01 -0.627863D+01  0.527767D+00 -0.146485D+01 -0.249668D+00
      5  -0.632690D+01 -0.264367D+02  0.775032D+01  0.431749D+01  0.312663D+01
      6   0.621877D+01  0.668045D+01  0.787137D+01  0.966457D+01  0.699938D+01
               166           167           168           169           170 
      1  -0.902212D+01 -0.131102D+02 -0.982422D+01 -0.783874D+01 -0.550030D+01
      2   0.493343D+01  0.777258D+01  0.159803D+00  0.767881D+00 -0.163983D+00
      3   0.408869D+01  0.533762D+01  0.966441D+01  0.707086D+01  0.566429D+01
      4   0.196364D+00 -0.182311D+01 -0.295926D+01  0.115419D+00 -0.163161D+01
      5   0.628837D+01  0.121725D+01 -0.197163D+01  0.584682D+01  0.572690D-01
      6   0.665174D+01  0.101209D+02  0.102199D+02  0.391419D+01  0.704589D+01
               171           172           173           174           175 
      1  -0.878706D+01  0.479355D+01 -0.448818D+01  0.354890D+01 -0.103649D+01
      2  -0.168245D+01 -0.186727D+01  0.226452D+01 -0.281840D+01  0.318426D+00
      3   0.104695D+02 -0.292629D+01  0.222366D+01 -0.730500D+00  0.718063D+00
      4  -0.144466D+01 -0.811910D+01  0.562716D+01 -0.398312D+01  0.359405D+01
      5   0.659668D+00  0.639168D+01 -0.229868D+01  0.103683D+02 -0.102207D+01
      6   0.634074D+01 -0.304481D+01  0.171803D+01 -0.496616D+01  0.189676D+01
               176           177           178           179           180 
      1  -0.328002D+01  0.293125D+01  0.503371D+01  0.470081D+01 -0.534097D+01
      2   0.271085D+01 -0.385477D+01 -0.380382D+01 -0.654753D+01 -0.733127D+01
      3   0.569172D+00  0.923519D+00 -0.122989D+01  0.184671D+01  0.126722D+02
      4  -0.213482D+01  0.534674D+01 -0.906089D+01  0.125001D+02 -0.139223D+02
      5   0.492944D+01 -0.361170D+01  0.153604D+02 -0.109326D+02  0.374971D+02
      6  -0.449244D+01  0.801919D+01 -0.878597D+01  0.129939D+02 -0.291755D+02
               181           182           183           184           185 
      1  -0.139705D+02 -0.237775D+02 -0.530524D+01 -0.144600D+02 -0.258373D+02
      2   0.145825D+02  0.283871D+02  0.402778D+01  0.146822D+02  0.346936D+02
      3  -0.612020D+00 -0.460960D+01  0.127746D+01 -0.222189D+00 -0.885633D+01
      4   0.532116D+01 -0.161101D+01  0.249465D+01  0.508858D+01 -0.666118D+01
      5  -0.299283D+01 -0.666953D+00 -0.135742D+01 -0.738076D+00 -0.300340D+01
      6   0.318596D+01  0.145478D+01  0.527891D+01  0.890801D+00  0.333894D+01
               186           187           188           189           190 
      1  -0.403706D+01 -0.556423D+01 -0.556480D+01 -0.540152D+01  0.421520D+02
      2   0.537061D+01  0.295642D+01  0.827945D+01  0.451263D+01 -0.108805D+02
      3  -0.133355D+01  0.260781D+01 -0.271465D+01  0.888888D+00 -0.312715D+02
      4  -0.142910D+01  0.374319D+01 -0.417694D+01 -0.195690D+01 -0.452614D+02
      5  -0.304885D+01  0.118485D+01 -0.319645D+01  0.840389D+00 -0.141644D+02
      6   0.611970D+01  0.179840D+01  0.690122D+01  0.175141D+01  0.890119D+01
               191           192           193           194           195 
      1  -0.148490D+02 -0.114186D+02 -0.114041D+02  0.398722D+01  0.122504D+01
      2  -0.218972D+01  0.409933D+01 -0.991058D+00  0.726037D+01  0.308429D+01
      3   0.170387D+02  0.731929D+01  0.123951D+02 -0.112476D+02 -0.430933D+01
      4   0.302710D+02  0.122540D+02  0.217182D+02 -0.185141D+02 -0.796527D+01
      5   0.575204D+01  0.132608D+02  0.503404D+01 -0.563236D+01 -0.428754D+01
      6  -0.491990D+01 -0.883045D+01 -0.371993D+01  0.521701D+01  0.491477D+01
               196           197           198           199           200 
      1  -0.154708D+02  0.286414D+01  0.675994D+01 -0.931740D-01 -0.197036D+01
      2   0.390018D+01  0.542179D+01 -0.311143D+01  0.926792D+00  0.164482D+01
      3   0.115707D+02 -0.828594D+01 -0.364851D+01 -0.833618D+00  0.325534D+00
      4   0.202524D+02 -0.166408D+02 -0.126393D+02 -0.194507D+01  0.177834D+01
      5   0.143129D+02 -0.796413D+01 -0.979658D+01  0.332851D+01 -0.131223D+01
      6  -0.980922D+01  0.715653D+01  0.646363D+01 -0.597181D-01  0.364303D+00
               201           202           203           204           205 
      1   0.221970D+01 -0.209145D+01 -0.278550D+01  0.583477D+01  0.361150D+01
      2  -0.147702D+01 -0.164942D+01  0.325382D+01 -0.326382D+01 -0.309836D+01
      3  -0.742679D+00  0.374086D+01 -0.468315D+00 -0.257094D+01 -0.513132D+00
      4  -0.205138D+01  0.168740D+01 -0.187714D+01  0.316073D+01 -0.226610D+01
      5   0.417896D+01 -0.942911D+00  0.139963D+01 -0.260151D+01  0.395511D+01
      6  -0.339744D+00  0.104840D+00 -0.450249D+01  0.390868D+01 -0.693026D+00
               206           207           208           209           210 
      1   0.634012D+01 -0.675465D+01 -0.500516D+00  0.195692D+01 -0.316313D+01
      2  -0.530770D+01  0.126165D+01 -0.107535D+01 -0.961927D+00  0.719792D+00
      3  -0.103242D+01  0.549299D+01  0.157587D+01 -0.994994D+00  0.244334D+01
      4   0.379381D+01 -0.450272D+01  0.184200D+01  0.232785D+01 -0.211588D+01
      5  -0.373360D+01  0.543316D+01 -0.270273D+01 -0.237269D+01  0.477371D+01
      6   0.430102D+01 -0.656097D+01 -0.255357D+01  0.184268D+00  0.188069D+00
               211           212           213           214           215 
      1   0.293548D+01 -0.906742D+01  0.993930D+01 -0.316286D+01  0.954115D+01
      2  -0.383357D+01  0.382489D+01 -0.614511D+00  0.166471D+01 -0.245694D+01
      3   0.898081D+00  0.524254D+01 -0.932479D+01  0.149815D+01 -0.708421D+01
      4   0.350938D+00  0.534662D+01 -0.534901D+01 -0.289630D+01 -0.557855D+01
      5  -0.385069D+01 -0.645908D+01  0.981644D+01  0.341939D+01  0.781201D+01
      6  -0.709658D-01 -0.776133D+01  0.809614D+01  0.171203D+01  0.898544D+01
               216           217           218           219           220 
      1  -0.208428D+02  0.325032D+01 -0.882580D+01  0.437009D+01 -0.109501D+02
      2  -0.313112D+01  0.452103D+00  0.749333D+01 -0.775758D+00  0.498959D+01
      3   0.239740D+02 -0.370243D+01  0.133246D+01 -0.359433D+01  0.596055D+01
      4   0.670653D+01 -0.294935D+01 -0.333861D+01  0.149402D+01  0.769645D+01
      5  -0.181000D+02  0.411191D+00 -0.978979D-01 -0.382971D+01 -0.656444D+01
      6  -0.111788D+02 -0.127453D+01 -0.292182D+01  0.165553D+01  0.167736D+01
               221           222           223           224           225 
      1  -0.207374D+02  0.159404D+01  0.266168D+01  0.799109D+00 -0.595315D+01
      2   0.328006D+02 -0.667851D+00 -0.125067D+01  0.229489D+01  0.283026D+01
      3  -0.120632D+02 -0.926188D+00 -0.141101D+01 -0.309400D+01  0.312289D+01
      4  -0.457437D+02  0.632031D+01  0.206176D+01 -0.265953D+01 -0.315350D+01
      5   0.395874D+01 -0.972320D+01 -0.124596D+00 -0.331796D+01  0.101021D+01
      6  -0.158637D+02  0.740667D+01  0.121322D+00  0.471437D+01 -0.635520D+00
               226           227           228           229           230 
      1  -0.505889D+01  0.381623D+01  0.164822D+02  0.541937D+01 -0.905293D+01
      2  -0.150298D+01 -0.694436D-01  0.967528D+00 -0.228580D+01  0.348593D+01
      3   0.656188D+01 -0.374679D+01 -0.174497D+02 -0.313357D+01  0.556700D+01
      4   0.413216D+01 -0.544529D+01 -0.757103D+00 -0.157165D+01  0.176802D+01
      5   0.567010D+00  0.925155D+00 -0.984309D+01  0.259313D+01  0.448589D+01
      6   0.155096D+01 -0.353533D+01 -0.425429D+00 -0.151305D+01  0.311215D+01
               231           232           233           234           235 
      1  -0.680246D+01  0.169681D+02 -0.501580D+01 -0.244922D+02  0.839703D+02
      2  -0.379922D+01 -0.555435D+01 -0.158788D+01 -0.968520D+01 -0.467705D+02
      3   0.106017D+02 -0.114137D+02  0.660368D+01  0.341774D+02 -0.371997D+02
      4   0.605946D+01 -0.358377D+01  0.698327D+01  0.585342D+01 -0.132563D+02
      5   0.106231D+02  0.217745D+01  0.399478D+01  0.266193D+02  0.419433D+02
      6   0.624703D+01 -0.116793D+01  0.525064D+01  0.216886D+01 -0.130442D+01
               236           237           238           239           240 
      1  -0.336740D+01  0.213726D+02  0.446475D+01  0.623417D+01  0.894798D+00
      2   0.522613D+00 -0.156072D+02 -0.321618D+01 -0.176439D+01 -0.172932D+01
      3   0.284479D+01 -0.576539D+01 -0.124857D+01 -0.446978D+01  0.834520D+00
      4   0.126710D+02 -0.358849D+01  0.990612D+01 -0.252785D+01  0.328499D+01
      5  -0.184116D+01  0.239850D+02  0.265313D+01  0.431782D+01  0.309934D+01
      6   0.381420D+01 -0.175997D+01  0.342119D+01 -0.501366D+00  0.197162D+01
               241           242           243 
      1   0.128323D+02 -0.711961D+00  0.934483D+01
      2  -0.104559D+02 -0.184813D+00 -0.926878D+01
      3  -0.237636D+01  0.896774D+00 -0.760510D-01
      4  -0.180142D+01  0.195543D+01 -0.385593D+00
      5   0.176520D+02  0.353790D+00  0.126816D+02
      6  -0.187845D+01  0.164937D+01 -0.354913D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x         -0.142079D+01     -0.361129D+01     -0.120460D+02
   y         -0.559810D+00     -0.142290D+01     -0.474627D+01
   z          0.592931D+00      0.150708D+01      0.502708D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.160911D+03      0.238446D+02      0.265307D+02
   yx         0.713297D+01      0.105700D+01      0.117607D+01
   yy         0.105896D+03      0.156922D+02      0.174600D+02
   zx        -0.302959D+01     -0.448939D+00     -0.499512D+00
   zy        -0.433052D+01     -0.641716D+00     -0.714006D+00
   zz         0.107218D+03      0.158881D+02      0.176779D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129744D+03      0.192261D+02      0.213919D+02
   aniso      0.617877D+02      0.915600D+01      0.101874D+02
   xx         0.169043D+03      0.250496D+02      0.278715D+02
   yx         0.861434D+01      0.127651D+01      0.142031D+01
   yy         0.109690D+03      0.162544D+02      0.180855D+02
   zx        -0.454667D+01     -0.673747D+00     -0.749644D+00
   zy        -0.438392D+01     -0.649629D+00     -0.722810D+00
   zz         0.110499D+03      0.163742D+02      0.182188D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.18569029          2.26617479          3.86341438
     6         -1.52478087          1.59859844          3.15051310
     6         -1.70558151         -0.57666835          1.11415937
     6          0.38071603         -0.92563591         -0.71285071
     6          0.14955821         -0.75020823         -3.22088673
     6          2.22498990         -1.06106902         -5.05935212
     8          1.80303493         -0.84461916         -7.30959806
     6         -3.02243252          3.96209596          2.51982184
     6         -2.72578551         -0.26616487          5.07796658
     6         -2.01488489         -2.48410643          3.32041013
     6          4.86277604         -1.64476468         -4.11112344
     1         -4.76685194         -0.01211955          5.21203914
     1         -1.93490783         -0.26780779          6.98037607
     1         -3.49093476         -0.37252728          0.10074277
     1         -0.21510625         -3.34407215          3.83834488
     1         -3.39927397         -3.98214511          3.04978770
     1          2.29468081          0.59672405          4.35131083
     1          1.19161723          3.51705057          5.50527855
     1          2.14671852          3.24160540          2.31904974
     1         -4.97617711          3.50182413          2.04331605
     1         -2.18976920          4.95447003          0.91073270
     1         -3.04816671          5.26681751          4.12150466
     1          2.22352179         -1.33801290          0.08955930
     1         -1.67030631         -0.34625291         -4.07562234
     1          4.88478415         -3.40901752         -3.04108840
     1          5.53920061         -0.15172936         -2.85746655
     1          6.12509274         -1.80735402         -5.72352153

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163817D+01      0.416382D+01      0.138890D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163817D+01      0.416382D+01      0.138890D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.124675D+03      0.184750D+02      0.205562D+02
   aniso      0.564984D+02      0.837220D+01      0.931533D+01
   xx         0.115809D+03      0.171612D+02      0.190944D+02
   yx        -0.471416D+01     -0.698566D+00     -0.777259D+00
   yy         0.103563D+03      0.153464D+02      0.170752D+02
   zx        -0.172788D+02     -0.256045D+01     -0.284888D+01
   zy         0.563065D+01      0.834377D+00      0.928369D+00
   zz         0.154654D+03      0.229174D+02      0.254990D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.129744D+03      0.192261D+02      0.213919D+02
   aniso      0.617877D+02      0.915600D+01      0.101874D+02
   xx         0.118640D+03      0.175806D+02      0.195611D+02
   yx        -0.459661D+01     -0.681147D+00     -0.757878D+00
   yy         0.107105D+03      0.158713D+02      0.176592D+02
   zx        -0.181560D+02     -0.269044D+01     -0.299352D+01
   zy         0.587917D+01      0.871204D+00      0.969345D+00
   zz         0.163488D+03      0.242264D+02      0.269555D+02

 ----------------------------------------------------------------------
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 THOSE WHO TRY TO PASS CHEMISTRY OFF AS A NEW SCIENCE
 SHOW HOW LITTLE KNOWLEDGE THEY HAVE OF THE CHARACTER
 AND LITERATURE OF THE ANCIENTS.
   -- NICOLAS LEFEVRE
 "COURS DE CHYMIE" J.-N.LELOUP, PARIS, 1751
 Job cpu time:       0 days  4 hours 27 minutes 19.0 seconds.
 Elapsed time:       0 days  0 hours 33 minutes 30.5 seconds.
 File lengths (MBytes):  RWF=    392 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Sun Sep 26 20:21:05 2021.
